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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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/MTEC-9da76732/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MTEC-9da76732/inputs/seq.fa: 1 curr_seq: _UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUGCCAGAAGAUACCAUUUCAACUUUAACACAGCAUGAUCGAAACAUACAACCAAACUUCUCCCCGAUCUGCGGCCACUGGACUGCCCAUCAGCAUGAAAAUUUUUAUGUAUUUACUUACUGUUUUUCUUAUCACCCAGAUGAUUGGGUCAGCACUUUUUGCUGUGUAUCUUCAUAGAAGGUUGGACAAGAUAGAAGAUGAAAGGAAUCUUCAUGAAGAUUUUGUAUUCAUGAAAACGAUACAGAGAUGCAACACAGGAGAAAGAUCCUUAUCCUUACUGAACUGUGAGGAGAUUAAA 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 299 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: 1500 n_atoms_counter: 1500 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 299.000000 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: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1183.810817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.810817 (E_RNA) where: Base-Base interactions energy: -20.251 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.000 local terms energy: -1163.559258 where: bonds (distance) C4'-P energy: -290.502 bonds (distance) P-C4' energy: -268.396 flat angles C4'-P-C4' energy: -219.533 flat angles P-C4'-P energy: -251.123 tors. eta vs tors. theta energy: -134.006 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1380.523691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.523691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.523691 (E_RNA) where: Base-Base interactions energy: -563.573 where: short stacking energy: -555.732 Base-Backbone interact. energy: -0.256 local terms energy: -816.695288 where: bonds (distance) C4'-P energy: -187.395 bonds (distance) P-C4' energy: -194.301 flat angles C4'-P-C4' energy: -176.703 flat angles P-C4'-P energy: -115.546 tors. eta vs tors. theta energy: -142.751 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1262.251828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.251828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.251828 (E_RNA) where: Base-Base interactions energy: -470.648 where: short stacking energy: -468.986 Base-Backbone interact. energy: -0.224 local terms energy: -791.379811 where: bonds (distance) C4'-P energy: -192.532 bonds (distance) P-C4' energy: -189.473 flat angles C4'-P-C4' energy: -179.024 flat angles P-C4'-P energy: -123.199 tors. eta vs tors. theta energy: -107.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1251.285710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.285710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.285710 (E_RNA) where: Base-Base interactions energy: -339.785 where: short stacking energy: -339.640 Base-Backbone interact. energy: -0.001 local terms energy: -911.499867 where: bonds (distance) C4'-P energy: -184.590 bonds (distance) P-C4' energy: -183.934 flat angles C4'-P-C4' energy: -213.976 flat angles P-C4'-P energy: -185.369 tors. eta vs tors. theta energy: -143.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1186.029336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.029336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.029336 (E_RNA) where: Base-Base interactions energy: -25.448 where: short stacking energy: -25.448 Base-Backbone interact. energy: -0.000 local terms energy: -1160.581017 where: bonds (distance) C4'-P energy: -290.154 bonds (distance) P-C4' energy: -266.152 flat angles C4'-P-C4' energy: -219.009 flat angles P-C4'-P energy: -250.570 tors. eta vs tors. theta energy: -134.696 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1188.438094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.438094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.438094 (E_RNA) where: Base-Base interactions energy: -58.533 where: short stacking energy: -58.533 Base-Backbone interact. energy: -0.000 local terms energy: -1129.905273 where: bonds (distance) C4'-P energy: -267.347 bonds (distance) P-C4' energy: -253.573 flat angles C4'-P-C4' energy: -219.188 flat angles P-C4'-P energy: -245.102 tors. eta vs tors. theta energy: -144.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1186.888991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.888991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.888991 (E_RNA) where: Base-Base interactions energy: -25.752 where: short stacking energy: -25.752 Base-Backbone interact. energy: -0.000 local terms energy: -1161.136632 where: bonds (distance) C4'-P energy: -290.154 bonds (distance) P-C4' energy: -267.459 flat angles C4'-P-C4' energy: -218.372 flat angles P-C4'-P energy: -250.578 tors. eta vs tors. theta energy: -134.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1186.890319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.890319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.890319 (E_RNA) where: Base-Base interactions energy: -26.224 where: short stacking energy: -26.224 Base-Backbone interact. energy: -0.000 local terms energy: -1160.666013 where: bonds (distance) C4'-P energy: -290.154 bonds (distance) P-C4' energy: -267.459 flat angles C4'-P-C4' energy: -218.084 flat angles P-C4'-P energy: -250.615 tors. eta vs tors. theta energy: -134.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1186.495022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.495022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.495022 (E_RNA) where: Base-Base interactions energy: -26.724 where: short stacking energy: -26.724 Base-Backbone interact. energy: -0.000 local terms energy: -1159.770287 where: bonds (distance) C4'-P energy: -290.270 bonds (distance) P-C4' energy: -266.152 flat angles C4'-P-C4' energy: -218.457 flat angles P-C4'-P energy: -250.551 tors. eta vs tors. theta energy: -134.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1186.893365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.893365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.893365 (E_RNA) where: Base-Base interactions energy: -35.810 where: short stacking energy: -35.810 Base-Backbone interact. energy: -0.000 local terms energy: -1151.082645 where: bonds (distance) C4'-P energy: -286.255 bonds (distance) P-C4' energy: -260.843 flat angles C4'-P-C4' energy: -219.396 flat angles P-C4'-P energy: -249.415 tors. eta vs tors. theta energy: -135.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1186.968944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.968944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.968944 (E_RNA) where: Base-Base interactions energy: -31.576 where: short stacking energy: -31.576 Base-Backbone interact. energy: -0.000 local terms energy: -1155.392638 where: bonds (distance) C4'-P energy: -290.046 bonds (distance) P-C4' energy: -261.868 flat angles C4'-P-C4' energy: -219.024 flat angles P-C4'-P energy: -249.751 tors. eta vs tors. theta energy: -134.703 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1395.851513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.851513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.851513 (E_RNA) where: Base-Base interactions energy: -564.907 where: short stacking energy: -538.819 Base-Backbone interact. energy: -1.025 local terms energy: -829.919282 where: bonds (distance) C4'-P energy: -207.439 bonds (distance) P-C4' energy: -203.201 flat angles C4'-P-C4' energy: -173.266 flat angles P-C4'-P energy: -114.881 tors. eta vs tors. theta energy: -131.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1299.379713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.379713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.379713 (E_RNA) where: Base-Base interactions energy: -531.241 where: short stacking energy: -524.622 Base-Backbone interact. energy: 0.500 local terms energy: -768.638556 where: bonds (distance) C4'-P energy: -165.461 bonds (distance) P-C4' energy: -174.912 flat angles C4'-P-C4' energy: -186.069 flat angles P-C4'-P energy: -120.499 tors. eta vs tors. theta energy: -121.698 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1193.551652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.551652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.551652 (E_RNA) where: Base-Base interactions energy: -474.745 where: short stacking energy: -456.061 Base-Backbone interact. energy: 0.480 local terms energy: -719.286468 where: bonds (distance) C4'-P energy: -160.687 bonds (distance) P-C4' energy: -190.051 flat angles C4'-P-C4' energy: -168.589 flat angles P-C4'-P energy: -98.833 tors. eta vs tors. theta energy: -101.127 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1121.659232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.659232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.659232 (E_RNA) where: Base-Base interactions energy: -438.534 where: short stacking energy: -415.348 Base-Backbone interact. energy: -0.609 local terms energy: -682.516394 where: bonds (distance) C4'-P energy: -163.297 bonds (distance) P-C4' energy: -180.200 flat angles C4'-P-C4' energy: -170.694 flat angles P-C4'-P energy: -77.845 tors. eta vs tors. theta energy: -90.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -999.011219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.011219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.011219 (E_RNA) where: Base-Base interactions energy: -330.108 where: short stacking energy: -328.350 Base-Backbone interact. energy: 0.783 local terms energy: -669.685908 where: bonds (distance) C4'-P energy: -162.644 bonds (distance) P-C4' energy: -177.498 flat angles C4'-P-C4' energy: -173.533 flat angles P-C4'-P energy: -95.534 tors. eta vs tors. theta energy: -60.477 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -922.392138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.392138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.392138 (E_RNA) where: Base-Base interactions energy: -305.574 where: short stacking energy: -297.931 Base-Backbone interact. energy: -0.635 local terms energy: -616.183550 where: bonds (distance) C4'-P energy: -167.751 bonds (distance) P-C4' energy: -156.506 flat angles C4'-P-C4' energy: -140.333 flat angles P-C4'-P energy: -103.541 tors. eta vs tors. theta energy: -48.053 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -872.138660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.138660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.138660 (E_RNA) where: Base-Base interactions energy: -303.392 where: short stacking energy: -292.529 Base-Backbone interact. energy: 2.760 local terms energy: -571.506143 where: bonds (distance) C4'-P energy: -160.290 bonds (distance) P-C4' energy: -181.430 flat angles C4'-P-C4' energy: -137.961 flat angles P-C4'-P energy: -70.785 tors. eta vs tors. theta energy: -21.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -787.936111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.936111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.936111 (E_RNA) where: Base-Base interactions energy: -271.250 where: short stacking energy: -256.866 Base-Backbone interact. energy: -2.006 local terms energy: -514.680185 where: bonds (distance) C4'-P energy: -149.967 bonds (distance) P-C4' energy: -142.088 flat angles C4'-P-C4' energy: -132.351 flat angles P-C4'-P energy: -73.819 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -719.991312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.991312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.991312 (E_RNA) where: Base-Base interactions energy: -241.284 where: short stacking energy: -212.966 Base-Backbone interact. energy: -1.629 local terms energy: -477.078378 where: bonds (distance) C4'-P energy: -134.279 bonds (distance) P-C4' energy: -148.163 flat angles C4'-P-C4' energy: -133.077 flat angles P-C4'-P energy: -58.101 tors. eta vs tors. theta energy: -3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -671.359065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.359065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.359065 (E_RNA) where: Base-Base interactions energy: -191.379 where: short stacking energy: -180.939 Base-Backbone interact. energy: 5.200 local terms energy: -485.180313 where: bonds (distance) C4'-P energy: -154.299 bonds (distance) P-C4' energy: -166.957 flat angles C4'-P-C4' energy: -116.915 flat angles P-C4'-P energy: -62.290 tors. eta vs tors. theta energy: 15.280 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1458.093682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.093682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.093682 (E_RNA) where: Base-Base interactions energy: -643.525 where: short stacking energy: -556.966 Base-Backbone interact. energy: -1.330 local terms energy: -813.238361 where: bonds (distance) C4'-P energy: -179.400 bonds (distance) P-C4' energy: -172.251 flat angles C4'-P-C4' energy: -201.797 flat angles P-C4'-P energy: -115.451 tors. eta vs tors. theta energy: -144.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1407.923336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.923336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.923336 (E_RNA) where: Base-Base interactions energy: -595.427 where: short stacking energy: -564.505 Base-Backbone interact. energy: -1.155 local terms energy: -811.341563 where: bonds (distance) C4'-P energy: -168.248 bonds (distance) P-C4' energy: -191.260 flat angles C4'-P-C4' energy: -186.843 flat angles P-C4'-P energy: -129.533 tors. eta vs tors. theta energy: -135.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1194.671747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.671747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.671747 (E_RNA) where: Base-Base interactions energy: -465.984 where: short stacking energy: -428.714 Base-Backbone interact. energy: -0.180 local terms energy: -728.508250 where: bonds (distance) C4'-P energy: -182.265 bonds (distance) P-C4' energy: -174.859 flat angles C4'-P-C4' energy: -170.746 flat angles P-C4'-P energy: -101.874 tors. eta vs tors. theta energy: -98.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1122.702497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.702497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.702497 (E_RNA) where: Base-Base interactions energy: -416.625 where: short stacking energy: -396.596 Base-Backbone interact. energy: -0.162 local terms energy: -705.915287 where: bonds (distance) C4'-P energy: -170.675 bonds (distance) P-C4' energy: -197.802 flat angles C4'-P-C4' energy: -170.252 flat angles P-C4'-P energy: -94.116 tors. eta vs tors. theta energy: -73.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -989.479832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.479832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.479832 (E_RNA) where: Base-Base interactions energy: -362.356 where: short stacking energy: -340.311 Base-Backbone interact. energy: -0.799 local terms energy: -626.325806 where: bonds (distance) C4'-P energy: -160.330 bonds (distance) P-C4' energy: -184.237 flat angles C4'-P-C4' energy: -130.873 flat angles P-C4'-P energy: -92.377 tors. eta vs tors. theta energy: -58.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -937.325157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.325157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.325157 (E_RNA) where: Base-Base interactions energy: -351.140 where: short stacking energy: -318.375 Base-Backbone interact. energy: 2.115 local terms energy: -588.299705 where: bonds (distance) C4'-P energy: -158.744 bonds (distance) P-C4' energy: -173.852 flat angles C4'-P-C4' energy: -143.246 flat angles P-C4'-P energy: -75.654 tors. eta vs tors. theta energy: -36.803 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -861.802781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.802781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.802781 (E_RNA) where: Base-Base interactions energy: -308.509 where: short stacking energy: -285.472 Base-Backbone interact. energy: 0.779 local terms energy: -554.072583 where: bonds (distance) C4'-P energy: -141.381 bonds (distance) P-C4' energy: -165.328 flat angles C4'-P-C4' energy: -144.969 flat angles P-C4'-P energy: -71.458 tors. eta vs tors. theta energy: -30.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -760.207169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.207169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.207169 (E_RNA) where: Base-Base interactions energy: -236.008 where: short stacking energy: -217.869 Base-Backbone interact. energy: -1.674 local terms energy: -522.525218 where: bonds (distance) C4'-P energy: -152.237 bonds (distance) P-C4' energy: -150.714 flat angles C4'-P-C4' energy: -137.703 flat angles P-C4'-P energy: -75.154 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -731.771286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.771286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.771286 (E_RNA) where: Base-Base interactions energy: -245.901 where: short stacking energy: -220.595 Base-Backbone interact. energy: 2.017 local terms energy: -487.887824 where: bonds (distance) C4'-P energy: -155.635 bonds (distance) P-C4' energy: -154.119 flat angles C4'-P-C4' energy: -111.661 flat angles P-C4'-P energy: -64.964 tors. eta vs tors. theta energy: -1.509 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -655.149322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.149322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.149322 (E_RNA) where: Base-Base interactions energy: -181.528 where: short stacking energy: -175.268 Base-Backbone interact. energy: -4.892 local terms energy: -468.729488 where: bonds (distance) C4'-P energy: -152.876 bonds (distance) P-C4' energy: -145.032 flat angles C4'-P-C4' energy: -142.210 flat angles P-C4'-P energy: -65.409 tors. eta vs tors. theta energy: 36.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1497.184231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.184231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.184231 (E_RNA) where: Base-Base interactions energy: -692.553 where: short stacking energy: -591.145 Base-Backbone interact. energy: -1.374 local terms energy: -803.257447 where: bonds (distance) C4'-P energy: -173.715 bonds (distance) P-C4' energy: -193.959 flat angles C4'-P-C4' energy: -182.621 flat angles P-C4'-P energy: -119.451 tors. eta vs tors. theta energy: -133.511 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: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1375.244592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.244592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.244592 (E_RNA) where: Base-Base interactions energy: -579.994 where: short stacking energy: -523.634 Base-Backbone interact. energy: -0.564 local terms energy: -794.686605 where: bonds (distance) C4'-P energy: -167.421 bonds (distance) P-C4' energy: -194.219 flat angles C4'-P-C4' energy: -188.876 flat angles P-C4'-P energy: -112.679 tors. eta vs tors. theta energy: -131.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1223.937969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.937969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.937969 (E_RNA) where: Base-Base interactions energy: -467.323 where: short stacking energy: -437.731 Base-Backbone interact. energy: -1.233 local terms energy: -755.381657 where: bonds (distance) C4'-P energy: -164.041 bonds (distance) P-C4' energy: -184.998 flat angles C4'-P-C4' energy: -178.578 flat angles P-C4'-P energy: -125.037 tors. eta vs tors. theta energy: -102.728 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: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1070.721831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.721831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.721831 (E_RNA) where: Base-Base interactions energy: -407.821 where: short stacking energy: -377.393 Base-Backbone interact. energy: -1.380 local terms energy: -661.521502 where: bonds (distance) C4'-P energy: -169.901 bonds (distance) P-C4' energy: -179.668 flat angles C4'-P-C4' energy: -162.732 flat angles P-C4'-P energy: -102.612 tors. eta vs tors. theta energy: -46.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1012.109992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.109992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.109992 (E_RNA) where: Base-Base interactions energy: -375.593 where: short stacking energy: -341.582 Base-Backbone interact. energy: -0.662 local terms energy: -635.854985 where: bonds (distance) C4'-P energy: -173.887 bonds (distance) P-C4' energy: -178.400 flat angles C4'-P-C4' energy: -162.291 flat angles P-C4'-P energy: -81.046 tors. eta vs tors. theta energy: -40.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -925.685109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.685109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.685109 (E_RNA) where: Base-Base interactions energy: -323.142 where: short stacking energy: -259.873 Base-Backbone interact. energy: -1.461 local terms energy: -601.081642 where: bonds (distance) C4'-P energy: -170.601 bonds (distance) P-C4' energy: -191.940 flat angles C4'-P-C4' energy: -148.176 flat angles P-C4'-P energy: -83.017 tors. eta vs tors. theta energy: -7.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -903.829780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.829780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.829780 (E_RNA) where: Base-Base interactions energy: -335.715 where: short stacking energy: -255.075 Base-Backbone interact. energy: 1.513 local terms energy: -569.627394 where: bonds (distance) C4'-P energy: -152.461 bonds (distance) P-C4' energy: -186.925 flat angles C4'-P-C4' energy: -155.635 flat angles P-C4'-P energy: -71.064 tors. eta vs tors. theta energy: -3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -745.757298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.757298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.757298 (E_RNA) where: Base-Base interactions energy: -230.640 where: short stacking energy: -181.683 Base-Backbone interact. energy: 0.599 local terms energy: -515.716862 where: bonds (distance) C4'-P energy: -172.868 bonds (distance) P-C4' energy: -157.376 flat angles C4'-P-C4' energy: -129.103 flat angles P-C4'-P energy: -85.514 tors. eta vs tors. theta energy: 29.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -720.829412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.829412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.829412 (E_RNA) where: Base-Base interactions energy: -266.930 where: short stacking energy: -225.940 Base-Backbone interact. energy: 0.361 local terms energy: -454.260354 where: bonds (distance) C4'-P energy: -155.606 bonds (distance) P-C4' energy: -126.734 flat angles C4'-P-C4' energy: -110.836 flat angles P-C4'-P energy: -64.065 tors. eta vs tors. theta energy: 2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -667.447774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.447774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.447774 (E_RNA) where: Base-Base interactions energy: -215.638 where: short stacking energy: -165.437 Base-Backbone interact. energy: -0.649 local terms energy: -451.160587 where: bonds (distance) C4'-P energy: -137.983 bonds (distance) P-C4' energy: -170.829 flat angles C4'-P-C4' energy: -106.029 flat angles P-C4'-P energy: -61.784 tors. eta vs tors. theta energy: 25.465 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1527.171404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.171404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.171404 (E_RNA) where: Base-Base interactions energy: -709.079 where: short stacking energy: -585.376 Base-Backbone interact. energy: -0.618 local terms energy: -817.474689 where: bonds (distance) C4'-P energy: -187.144 bonds (distance) P-C4' energy: -185.484 flat angles C4'-P-C4' energy: -188.601 flat angles P-C4'-P energy: -121.099 tors. eta vs tors. theta energy: -135.147 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1359.876324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.876324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.876324 (E_RNA) where: Base-Base interactions energy: -590.790 where: short stacking energy: -487.043 Base-Backbone interact. energy: -1.427 local terms energy: -767.658864 where: bonds (distance) C4'-P energy: -187.190 bonds (distance) P-C4' energy: -196.669 flat angles C4'-P-C4' energy: -179.096 flat angles P-C4'-P energy: -105.448 tors. eta vs tors. theta energy: -99.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1278.253347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.253347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.253347 (E_RNA) where: Base-Base interactions energy: -532.928 where: short stacking energy: -439.664 Base-Backbone interact. energy: -1.075 local terms energy: -744.250010 where: bonds (distance) C4'-P energy: -180.876 bonds (distance) P-C4' energy: -171.883 flat angles C4'-P-C4' energy: -187.367 flat angles P-C4'-P energy: -112.666 tors. eta vs tors. theta energy: -91.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1152.019412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.019412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.019412 (E_RNA) where: Base-Base interactions energy: -454.147 where: short stacking energy: -416.429 Base-Backbone interact. energy: 0.047 local terms energy: -697.918968 where: bonds (distance) C4'-P energy: -179.200 bonds (distance) P-C4' energy: -179.266 flat angles C4'-P-C4' energy: -182.362 flat angles P-C4'-P energy: -100.201 tors. eta vs tors. theta energy: -56.890 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: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1162.743938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.743938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.743938 (E_RNA) where: Base-Base interactions energy: -507.228 where: short stacking energy: -385.049 Base-Backbone interact. energy: -2.256 local terms energy: -653.259503 where: bonds (distance) C4'-P energy: -178.982 bonds (distance) P-C4' energy: -169.488 flat angles C4'-P-C4' energy: -137.816 flat angles P-C4'-P energy: -99.113 tors. eta vs tors. theta energy: -67.861 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: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -965.464592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.464592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.464592 (E_RNA) where: Base-Base interactions energy: -362.950 where: short stacking energy: -294.858 Base-Backbone interact. energy: 1.812 local terms energy: -604.326985 where: bonds (distance) C4'-P energy: -154.241 bonds (distance) P-C4' energy: -180.624 flat angles C4'-P-C4' energy: -150.932 flat angles P-C4'-P energy: -97.269 tors. eta vs tors. theta energy: -21.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -879.430682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.430682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.430682 (E_RNA) where: Base-Base interactions energy: -308.276 where: short stacking energy: -242.583 Base-Backbone interact. energy: 1.716 local terms energy: -572.870952 where: bonds (distance) C4'-P energy: -167.447 bonds (distance) P-C4' energy: -161.014 flat angles C4'-P-C4' energy: -143.182 flat angles P-C4'-P energy: -110.074 tors. eta vs tors. theta energy: 8.846 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: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -783.421397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.421397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.421397 (E_RNA) where: Base-Base interactions energy: -294.916 where: short stacking energy: -228.008 Base-Backbone interact. energy: -3.215 local terms energy: -485.289987 where: bonds (distance) C4'-P energy: -158.179 bonds (distance) P-C4' energy: -170.705 flat angles C4'-P-C4' energy: -124.718 flat angles P-C4'-P energy: -58.885 tors. eta vs tors. theta energy: 27.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -743.338428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.338428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.338428 (E_RNA) where: Base-Base interactions energy: -213.884 where: short stacking energy: -178.213 Base-Backbone interact. energy: 1.354 local terms energy: -530.807810 where: bonds (distance) C4'-P energy: -157.326 bonds (distance) P-C4' energy: -167.532 flat angles C4'-P-C4' energy: -138.979 flat angles P-C4'-P energy: -91.504 tors. eta vs tors. theta energy: 24.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -651.483780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.483780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.483780 (E_RNA) where: Base-Base interactions energy: -210.179 where: short stacking energy: -177.910 Base-Backbone interact. energy: -2.020 local terms energy: -439.284423 where: bonds (distance) C4'-P energy: -121.061 bonds (distance) P-C4' energy: -154.561 flat angles C4'-P-C4' energy: -116.101 flat angles P-C4'-P energy: -84.925 tors. eta vs tors. theta energy: 37.363 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: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1528.084296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.084296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.084296 (E_RNA) where: Base-Base interactions energy: -701.101 where: short stacking energy: -544.428 Base-Backbone interact. energy: -1.710 local terms energy: -825.272749 where: bonds (distance) C4'-P energy: -187.912 bonds (distance) P-C4' energy: -177.679 flat angles C4'-P-C4' energy: -197.991 flat angles P-C4'-P energy: -128.958 tors. eta vs tors. theta energy: -132.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1356.531120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.531120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.531120 (E_RNA) where: Base-Base interactions energy: -597.523 where: short stacking energy: -501.932 Base-Backbone interact. energy: -2.751 local terms energy: -756.256654 where: bonds (distance) C4'-P energy: -178.614 bonds (distance) P-C4' energy: -181.788 flat angles C4'-P-C4' energy: -185.753 flat angles P-C4'-P energy: -99.324 tors. eta vs tors. theta energy: -110.778 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1269.518112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.518112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.518112 (E_RNA) where: Base-Base interactions energy: -510.455 where: short stacking energy: -426.851 Base-Backbone interact. energy: 0.317 local terms energy: -759.380447 where: bonds (distance) C4'-P energy: -189.594 bonds (distance) P-C4' energy: -184.277 flat angles C4'-P-C4' energy: -174.196 flat angles P-C4'-P energy: -109.677 tors. eta vs tors. theta energy: -101.636 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: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1086.277690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.277690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.277690 (E_RNA) where: Base-Base interactions energy: -431.221 where: short stacking energy: -387.328 Base-Backbone interact. energy: 3.692 local terms energy: -658.748562 where: bonds (distance) C4'-P energy: -168.833 bonds (distance) P-C4' energy: -175.761 flat angles C4'-P-C4' energy: -172.207 flat angles P-C4'-P energy: -84.341 tors. eta vs tors. theta energy: -57.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1152.699392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.699392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.699392 (E_RNA) where: Base-Base interactions energy: -504.208 where: short stacking energy: -374.271 Base-Backbone interact. energy: -1.298 local terms energy: -647.193609 where: bonds (distance) C4'-P energy: -169.442 bonds (distance) P-C4' energy: -156.648 flat angles C4'-P-C4' energy: -159.627 flat angles P-C4'-P energy: -107.548 tors. eta vs tors. theta energy: -53.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -984.021912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.021912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.021912 (E_RNA) where: Base-Base interactions energy: -411.378 where: short stacking energy: -323.360 Base-Backbone interact. energy: -0.074 local terms energy: -572.570657 where: bonds (distance) C4'-P energy: -136.268 bonds (distance) P-C4' energy: -165.122 flat angles C4'-P-C4' energy: -142.737 flat angles P-C4'-P energy: -98.278 tors. eta vs tors. theta energy: -30.165 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: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -854.699835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.699835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.699835 (E_RNA) where: Base-Base interactions energy: -305.237 where: short stacking energy: -247.033 Base-Backbone interact. energy: -1.820 local terms energy: -547.643212 where: bonds (distance) C4'-P energy: -127.438 bonds (distance) P-C4' energy: -182.394 flat angles C4'-P-C4' energy: -131.243 flat angles P-C4'-P energy: -99.928 tors. eta vs tors. theta energy: -6.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -780.536279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.536279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.536279 (E_RNA) where: Base-Base interactions energy: -267.937 where: short stacking energy: -232.630 Base-Backbone interact. energy: -0.005 local terms energy: -512.594434 where: bonds (distance) C4'-P energy: -149.432 bonds (distance) P-C4' energy: -177.081 flat angles C4'-P-C4' energy: -110.595 flat angles P-C4'-P energy: -92.764 tors. eta vs tors. theta energy: 17.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -712.700299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.700299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.700299 (E_RNA) where: Base-Base interactions energy: -286.695 where: short stacking energy: -170.850 Base-Backbone interact. energy: -3.509 local terms energy: -422.496629 where: bonds (distance) C4'-P energy: -148.987 bonds (distance) P-C4' energy: -153.544 flat angles C4'-P-C4' energy: -120.116 flat angles P-C4'-P energy: -53.000 tors. eta vs tors. theta energy: 53.149 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: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -662.229941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.229941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.229941 (E_RNA) where: Base-Base interactions energy: -224.649 where: short stacking energy: -184.173 Base-Backbone interact. energy: 7.015 local terms energy: -444.595668 where: bonds (distance) C4'-P energy: -153.649 bonds (distance) P-C4' energy: -147.200 flat angles C4'-P-C4' energy: -114.135 flat angles P-C4'-P energy: -68.748 tors. eta vs tors. theta energy: 39.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1539.852332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.852332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.852332 (E_RNA) where: Base-Base interactions energy: -690.816 where: short stacking energy: -584.496 Base-Backbone interact. energy: -1.369 local terms energy: -847.667182 where: bonds (distance) C4'-P energy: -180.646 bonds (distance) P-C4' energy: -193.849 flat angles C4'-P-C4' energy: -198.120 flat angles P-C4'-P energy: -127.023 tors. eta vs tors. theta energy: -148.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1498.060611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.060611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.060611 (E_RNA) where: Base-Base interactions energy: -691.300 where: short stacking energy: -563.897 Base-Backbone interact. energy: -2.670 local terms energy: -804.090731 where: bonds (distance) C4'-P energy: -184.673 bonds (distance) P-C4' energy: -180.779 flat angles C4'-P-C4' energy: -192.363 flat angles P-C4'-P energy: -106.315 tors. eta vs tors. theta energy: -139.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1285.566000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.566000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.566000 (E_RNA) where: Base-Base interactions energy: -545.452 where: short stacking energy: -465.731 Base-Backbone interact. energy: 3.081 local terms energy: -743.194622 where: bonds (distance) C4'-P energy: -179.742 bonds (distance) P-C4' energy: -187.741 flat angles C4'-P-C4' energy: -188.533 flat angles P-C4'-P energy: -90.867 tors. eta vs tors. theta energy: -96.312 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: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1113.662161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.662161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.662161 (E_RNA) where: Base-Base interactions energy: -425.187 where: short stacking energy: -359.889 Base-Backbone interact. energy: 2.121 local terms energy: -690.595336 where: bonds (distance) C4'-P energy: -179.947 bonds (distance) P-C4' energy: -193.636 flat angles C4'-P-C4' energy: -165.283 flat angles P-C4'-P energy: -102.310 tors. eta vs tors. theta energy: -49.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1255.187218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.187218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.187218 (E_RNA) where: Base-Base interactions energy: -592.378 where: short stacking energy: -382.673 Base-Backbone interact. energy: -2.511 local terms energy: -660.298204 where: bonds (distance) C4'-P energy: -166.639 bonds (distance) P-C4' energy: -169.338 flat angles C4'-P-C4' energy: -147.811 flat angles P-C4'-P energy: -102.817 tors. eta vs tors. theta energy: -73.693 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: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1014.738866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.738866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.738866 (E_RNA) where: Base-Base interactions energy: -443.915 where: short stacking energy: -305.909 Base-Backbone interact. energy: 5.163 local terms energy: -575.987461 where: bonds (distance) C4'-P energy: -143.410 bonds (distance) P-C4' energy: -169.897 flat angles C4'-P-C4' energy: -152.090 flat angles P-C4'-P energy: -88.670 tors. eta vs tors. theta energy: -21.920 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: 8 Temperature: 1.200000 Total energy: -838.122618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.122618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.122618 (E_RNA) where: Base-Base interactions energy: -272.701 where: short stacking energy: -223.755 Base-Backbone interact. energy: -0.672 local terms energy: -564.749515 where: bonds (distance) C4'-P energy: -152.165 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -159.497 flat angles P-C4'-P energy: -97.136 tors. eta vs tors. theta energy: 2.913 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: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -857.860272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.860272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.860272 (E_RNA) where: Base-Base interactions energy: -309.628 where: short stacking energy: -218.368 Base-Backbone interact. energy: -2.756 local terms energy: -545.477108 where: bonds (distance) C4'-P energy: -175.270 bonds (distance) P-C4' energy: -165.116 flat angles C4'-P-C4' energy: -139.184 flat angles P-C4'-P energy: -76.250 tors. eta vs tors. theta energy: 10.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -673.546990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.546990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.546990 (E_RNA) where: Base-Base interactions energy: -234.576 where: short stacking energy: -183.503 Base-Backbone interact. energy: 4.176 local terms energy: -443.146370 where: bonds (distance) C4'-P energy: -124.799 bonds (distance) P-C4' energy: -161.596 flat angles C4'-P-C4' energy: -133.433 flat angles P-C4'-P energy: -65.037 tors. eta vs tors. theta energy: 41.718 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: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -654.739385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.739385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.739385 (E_RNA) where: Base-Base interactions energy: -204.130 where: short stacking energy: -178.998 Base-Backbone interact. energy: 6.636 local terms energy: -457.244777 where: bonds (distance) C4'-P energy: -124.475 bonds (distance) P-C4' energy: -167.420 flat angles C4'-P-C4' energy: -117.325 flat angles P-C4'-P energy: -80.656 tors. eta vs tors. theta energy: 32.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1580.247859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.247859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.247859 (E_RNA) where: Base-Base interactions energy: -759.985 where: short stacking energy: -602.732 Base-Backbone interact. energy: -0.180 local terms energy: -820.081963 where: bonds (distance) C4'-P energy: -170.523 bonds (distance) P-C4' energy: -190.985 flat angles C4'-P-C4' energy: -183.389 flat angles P-C4'-P energy: -109.405 tors. eta vs tors. theta energy: -165.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1459.121349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.121349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.121349 (E_RNA) where: Base-Base interactions energy: -635.176 where: short stacking energy: -539.792 Base-Backbone interact. energy: 3.835 local terms energy: -827.780143 where: bonds (distance) C4'-P energy: -169.370 bonds (distance) P-C4' energy: -199.937 flat angles C4'-P-C4' energy: -199.348 flat angles P-C4'-P energy: -118.788 tors. eta vs tors. theta energy: -140.337 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: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1297.573966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.573966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.573966 (E_RNA) where: Base-Base interactions energy: -549.030 where: short stacking energy: -436.711 Base-Backbone interact. energy: -1.808 local terms energy: -746.736378 where: bonds (distance) C4'-P energy: -168.067 bonds (distance) P-C4' energy: -182.128 flat angles C4'-P-C4' energy: -192.177 flat angles P-C4'-P energy: -97.645 tors. eta vs tors. theta energy: -106.720 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: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1321.542860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.542860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.542860 (E_RNA) where: Base-Base interactions energy: -638.450 where: short stacking energy: -396.306 Base-Backbone interact. energy: -2.778 local terms energy: -680.314161 where: bonds (distance) C4'-P energy: -168.826 bonds (distance) P-C4' energy: -190.573 flat angles C4'-P-C4' energy: -154.794 flat angles P-C4'-P energy: -82.234 tors. eta vs tors. theta energy: -83.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1152.931778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.931778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.931778 (E_RNA) where: Base-Base interactions energy: -477.480 where: short stacking energy: -349.957 Base-Backbone interact. energy: 1.336 local terms energy: -676.787704 where: bonds (distance) C4'-P energy: -164.836 bonds (distance) P-C4' energy: -177.198 flat angles C4'-P-C4' energy: -175.730 flat angles P-C4'-P energy: -101.663 tors. eta vs tors. theta energy: -57.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1072.151102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.151102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.151102 (E_RNA) where: Base-Base interactions energy: -462.500 where: short stacking energy: -341.908 Base-Backbone interact. energy: -0.750 local terms energy: -608.901646 where: bonds (distance) C4'-P energy: -166.167 bonds (distance) P-C4' energy: -175.350 flat angles C4'-P-C4' energy: -162.691 flat angles P-C4'-P energy: -68.017 tors. eta vs tors. theta energy: -36.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -853.673876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.673876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.673876 (E_RNA) where: Base-Base interactions energy: -316.474 where: short stacking energy: -247.872 Base-Backbone interact. energy: 0.663 local terms energy: -537.862816 where: bonds (distance) C4'-P energy: -166.672 bonds (distance) P-C4' energy: -168.396 flat angles C4'-P-C4' energy: -143.840 flat angles P-C4'-P energy: -61.277 tors. eta vs tors. theta energy: 2.322 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: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -846.526955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.526955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.526955 (E_RNA) where: Base-Base interactions energy: -309.427 where: short stacking energy: -239.517 Base-Backbone interact. energy: -1.093 local terms energy: -536.006500 where: bonds (distance) C4'-P energy: -148.975 bonds (distance) P-C4' energy: -160.407 flat angles C4'-P-C4' energy: -130.045 flat angles P-C4'-P energy: -97.635 tors. eta vs tors. theta energy: 1.055 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: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -714.351352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.351352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.351352 (E_RNA) where: Base-Base interactions energy: -233.340 where: short stacking energy: -213.789 Base-Backbone interact. energy: 5.541 local terms energy: -486.552166 where: bonds (distance) C4'-P energy: -133.434 bonds (distance) P-C4' energy: -165.490 flat angles C4'-P-C4' energy: -146.710 flat angles P-C4'-P energy: -74.845 tors. eta vs tors. theta energy: 33.927 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: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -701.431815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.431815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.431815 (E_RNA) where: Base-Base interactions energy: -262.266 where: short stacking energy: -183.678 Base-Backbone interact. energy: 5.204 local terms energy: -444.369719 where: bonds (distance) C4'-P energy: -136.088 bonds (distance) P-C4' energy: -155.363 flat angles C4'-P-C4' energy: -126.762 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: 34.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1642.202115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.202115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.202115 (E_RNA) where: Base-Base interactions energy: -831.466 where: short stacking energy: -639.177 Base-Backbone interact. energy: -3.666 local terms energy: -807.069747 where: bonds (distance) C4'-P energy: -181.041 bonds (distance) P-C4' energy: -181.569 flat angles C4'-P-C4' energy: -172.502 flat angles P-C4'-P energy: -105.780 tors. eta vs tors. theta energy: -166.178 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: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1472.532036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.532036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.532036 (E_RNA) where: Base-Base interactions energy: -707.282 where: short stacking energy: -522.167 Base-Backbone interact. energy: -0.091 local terms energy: -765.159308 where: bonds (distance) C4'-P energy: -182.953 bonds (distance) P-C4' energy: -171.156 flat angles C4'-P-C4' energy: -182.840 flat angles P-C4'-P energy: -130.239 tors. eta vs tors. theta energy: -97.971 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: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1529.157102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.157102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.157102 (E_RNA) where: Base-Base interactions energy: -796.737 where: short stacking energy: -495.646 Base-Backbone interact. energy: 1.564 local terms energy: -733.984736 where: bonds (distance) C4'-P energy: -177.083 bonds (distance) P-C4' energy: -175.866 flat angles C4'-P-C4' energy: -169.592 flat angles P-C4'-P energy: -103.012 tors. eta vs tors. theta energy: -108.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1227.364394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.364394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.364394 (E_RNA) where: Base-Base interactions energy: -545.380 where: short stacking energy: -425.967 Base-Backbone interact. energy: 2.003 local terms energy: -683.987218 where: bonds (distance) C4'-P energy: -172.305 bonds (distance) P-C4' energy: -157.700 flat angles C4'-P-C4' energy: -166.875 flat angles P-C4'-P energy: -105.123 tors. eta vs tors. theta energy: -81.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1182.836191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.836191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.836191 (E_RNA) where: Base-Base interactions energy: -562.017 where: short stacking energy: -394.962 Base-Backbone interact. energy: 2.370 local terms energy: -623.188808 where: bonds (distance) C4'-P energy: -165.931 bonds (distance) P-C4' energy: -179.008 flat angles C4'-P-C4' energy: -152.854 flat angles P-C4'-P energy: -86.909 tors. eta vs tors. theta energy: -38.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1008.510105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.510105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.510105 (E_RNA) where: Base-Base interactions energy: -416.287 where: short stacking energy: -275.637 Base-Backbone interact. energy: -4.556 local terms energy: -587.666627 where: bonds (distance) C4'-P energy: -150.374 bonds (distance) P-C4' energy: -169.966 flat angles C4'-P-C4' energy: -152.517 flat angles P-C4'-P energy: -95.508 tors. eta vs tors. theta energy: -19.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -988.915006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.915006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.915006 (E_RNA) where: Base-Base interactions energy: -405.751 where: short stacking energy: -275.993 Base-Backbone interact. energy: 2.313 local terms energy: -585.476321 where: bonds (distance) C4'-P energy: -157.136 bonds (distance) P-C4' energy: -175.917 flat angles C4'-P-C4' energy: -140.199 flat angles P-C4'-P energy: -88.979 tors. eta vs tors. theta energy: -23.244 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: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -889.248236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.248236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.248236 (E_RNA) where: Base-Base interactions energy: -343.736 where: short stacking energy: -249.899 Base-Backbone interact. energy: -1.368 local terms energy: -544.144143 where: bonds (distance) C4'-P energy: -157.587 bonds (distance) P-C4' energy: -172.767 flat angles C4'-P-C4' energy: -126.983 flat angles P-C4'-P energy: -80.003 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -697.077042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.077042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.077042 (E_RNA) where: Base-Base interactions energy: -232.885 where: short stacking energy: -184.516 Base-Backbone interact. energy: -1.447 local terms energy: -462.744125 where: bonds (distance) C4'-P energy: -138.280 bonds (distance) P-C4' energy: -169.093 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -83.843 tors. eta vs tors. theta energy: 49.647 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: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -654.530217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.530217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.530217 (E_RNA) where: Base-Base interactions energy: -236.328 where: short stacking energy: -185.882 Base-Backbone interact. energy: 5.644 local terms energy: -423.846525 where: bonds (distance) C4'-P energy: -124.451 bonds (distance) P-C4' energy: -135.752 flat angles C4'-P-C4' energy: -129.683 flat angles P-C4'-P energy: -75.993 tors. eta vs tors. theta energy: 42.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1685.519055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.519055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.519055 (E_RNA) where: Base-Base interactions energy: -834.514 where: short stacking energy: -627.810 Base-Backbone interact. energy: -2.678 local terms energy: -848.327172 where: bonds (distance) C4'-P energy: -181.620 bonds (distance) P-C4' energy: -193.223 flat angles C4'-P-C4' energy: -195.873 flat angles P-C4'-P energy: -122.334 tors. eta vs tors. theta energy: -155.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1665.909604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.909604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.909604 (E_RNA) where: Base-Base interactions energy: -898.474 where: short stacking energy: -526.504 Base-Backbone interact. energy: -4.958 local terms energy: -762.477688 where: bonds (distance) C4'-P energy: -175.309 bonds (distance) P-C4' energy: -174.253 flat angles C4'-P-C4' energy: -183.310 flat angles P-C4'-P energy: -109.887 tors. eta vs tors. theta energy: -119.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1315.137143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.137143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.137143 (E_RNA) where: Base-Base interactions energy: -621.044 where: short stacking energy: -412.282 Base-Backbone interact. energy: 0.915 local terms energy: -695.007837 where: bonds (distance) C4'-P energy: -158.745 bonds (distance) P-C4' energy: -192.557 flat angles C4'-P-C4' energy: -155.285 flat angles P-C4'-P energy: -103.861 tors. eta vs tors. theta energy: -84.559 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: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1312.174201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.174201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.174201 (E_RNA) where: Base-Base interactions energy: -625.642 where: short stacking energy: -459.192 Base-Backbone interact. energy: 1.708 local terms energy: -688.240109 where: bonds (distance) C4'-P energy: -165.209 bonds (distance) P-C4' energy: -176.288 flat angles C4'-P-C4' energy: -175.016 flat angles P-C4'-P energy: -96.259 tors. eta vs tors. theta energy: -75.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1253.713964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.713964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.713964 (E_RNA) where: Base-Base interactions energy: -613.305 where: short stacking energy: -418.647 Base-Backbone interact. energy: -2.791 local terms energy: -637.617928 where: bonds (distance) C4'-P energy: -130.918 bonds (distance) P-C4' energy: -171.315 flat angles C4'-P-C4' energy: -170.784 flat angles P-C4'-P energy: -103.301 tors. eta vs tors. theta energy: -61.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1151.444891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.444891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.444891 (E_RNA) where: Base-Base interactions energy: -599.159 where: short stacking energy: -353.169 Base-Backbone interact. energy: -3.179 local terms energy: -549.107251 where: bonds (distance) C4'-P energy: -151.812 bonds (distance) P-C4' energy: -151.353 flat angles C4'-P-C4' energy: -124.366 flat angles P-C4'-P energy: -85.580 tors. eta vs tors. theta energy: -35.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -975.789554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.789554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.789554 (E_RNA) where: Base-Base interactions energy: -424.940 where: short stacking energy: -251.456 Base-Backbone interact. energy: 1.798 local terms energy: -552.648250 where: bonds (distance) C4'-P energy: -137.778 bonds (distance) P-C4' energy: -166.397 flat angles C4'-P-C4' energy: -154.402 flat angles P-C4'-P energy: -92.511 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -940.421801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.421801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.421801 (E_RNA) where: Base-Base interactions energy: -431.634 where: short stacking energy: -275.794 Base-Backbone interact. energy: -1.251 local terms energy: -507.536471 where: bonds (distance) C4'-P energy: -150.737 bonds (distance) P-C4' energy: -161.255 flat angles C4'-P-C4' energy: -132.901 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: 9.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -717.824076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.824076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.824076 (E_RNA) where: Base-Base interactions energy: -265.706 where: short stacking energy: -218.239 Base-Backbone interact. energy: -2.912 local terms energy: -449.206386 where: bonds (distance) C4'-P energy: -154.414 bonds (distance) P-C4' energy: -140.586 flat angles C4'-P-C4' energy: -99.790 flat angles P-C4'-P energy: -58.146 tors. eta vs tors. theta energy: 3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -661.862845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.862845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.862845 (E_RNA) where: Base-Base interactions energy: -207.270 where: short stacking energy: -187.520 Base-Backbone interact. energy: -2.962 local terms energy: -451.630933 where: bonds (distance) C4'-P energy: -129.984 bonds (distance) P-C4' energy: -148.255 flat angles C4'-P-C4' energy: -120.474 flat angles P-C4'-P energy: -83.482 tors. eta vs tors. theta energy: 30.564 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: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1949.764498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.764498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.764498 (E_RNA) where: Base-Base interactions energy: -1092.285 where: short stacking energy: -616.469 Base-Backbone interact. energy: -6.188 local terms energy: -851.291097 where: bonds (distance) C4'-P energy: -190.101 bonds (distance) P-C4' energy: -181.897 flat angles C4'-P-C4' energy: -198.323 flat angles P-C4'-P energy: -122.706 tors. eta vs tors. theta energy: -158.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1596.880383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.880383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.880383 (E_RNA) where: Base-Base interactions energy: -817.249 where: short stacking energy: -535.002 Base-Backbone interact. energy: -0.351 local terms energy: -779.280843 where: bonds (distance) C4'-P energy: -181.457 bonds (distance) P-C4' energy: -179.375 flat angles C4'-P-C4' energy: -177.006 flat angles P-C4'-P energy: -118.695 tors. eta vs tors. theta energy: -122.749 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: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1420.726056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.726056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.726056 (E_RNA) where: Base-Base interactions energy: -709.503 where: short stacking energy: -456.311 Base-Backbone interact. energy: -2.411 local terms energy: -708.811593 where: bonds (distance) C4'-P energy: -174.703 bonds (distance) P-C4' energy: -192.667 flat angles C4'-P-C4' energy: -159.454 flat angles P-C4'-P energy: -98.342 tors. eta vs tors. theta energy: -83.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1359.343775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.343775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.343775 (E_RNA) where: Base-Base interactions energy: -656.954 where: short stacking energy: -434.301 Base-Backbone interact. energy: 0.593 local terms energy: -702.982858 where: bonds (distance) C4'-P energy: -164.149 bonds (distance) P-C4' energy: -186.748 flat angles C4'-P-C4' energy: -174.724 flat angles P-C4'-P energy: -97.598 tors. eta vs tors. theta energy: -79.764 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: 12 Temperature: 1.100000 Total energy: -1276.287784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.287784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.287784 (E_RNA) where: Base-Base interactions energy: -640.515 where: short stacking energy: -386.790 Base-Backbone interact. energy: 0.960 local terms energy: -636.733301 where: bonds (distance) C4'-P energy: -150.023 bonds (distance) P-C4' energy: -167.547 flat angles C4'-P-C4' energy: -164.701 flat angles P-C4'-P energy: -100.440 tors. eta vs tors. theta energy: -54.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1245.422430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.422430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.422430 (E_RNA) where: Base-Base interactions energy: -632.735 where: short stacking energy: -383.914 Base-Backbone interact. energy: 5.964 local terms energy: -618.651086 where: bonds (distance) C4'-P energy: -163.978 bonds (distance) P-C4' energy: -155.582 flat angles C4'-P-C4' energy: -165.436 flat angles P-C4'-P energy: -76.670 tors. eta vs tors. theta energy: -56.985 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: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1022.300550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.300550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.300550 (E_RNA) where: Base-Base interactions energy: -467.850 where: short stacking energy: -281.506 Base-Backbone interact. energy: 1.365 local terms energy: -555.816056 where: bonds (distance) C4'-P energy: -138.192 bonds (distance) P-C4' energy: -150.485 flat angles C4'-P-C4' energy: -155.422 flat angles P-C4'-P energy: -97.988 tors. eta vs tors. theta energy: -13.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -904.902114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.902114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.902114 (E_RNA) where: Base-Base interactions energy: -391.872 where: short stacking energy: -272.968 Base-Backbone interact. energy: -4.684 local terms energy: -508.346800 where: bonds (distance) C4'-P energy: -167.157 bonds (distance) P-C4' energy: -144.080 flat angles C4'-P-C4' energy: -139.033 flat angles P-C4'-P energy: -55.161 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -697.527389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.527389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.527389 (E_RNA) where: Base-Base interactions energy: -227.014 where: short stacking energy: -201.310 Base-Backbone interact. energy: 0.380 local terms energy: -470.893519 where: bonds (distance) C4'-P energy: -144.282 bonds (distance) P-C4' energy: -133.750 flat angles C4'-P-C4' energy: -135.733 flat angles P-C4'-P energy: -81.816 tors. eta vs tors. theta energy: 24.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -660.671725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.671725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.671725 (E_RNA) where: Base-Base interactions energy: -198.789 where: short stacking energy: -171.568 Base-Backbone interact. energy: 10.816 local terms energy: -472.699526 where: bonds (distance) C4'-P energy: -150.104 bonds (distance) P-C4' energy: -166.532 flat angles C4'-P-C4' energy: -123.751 flat angles P-C4'-P energy: -75.699 tors. eta vs tors. theta energy: 43.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1961.644891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.644891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.644891 (E_RNA) where: Base-Base interactions energy: -1117.914 where: short stacking energy: -628.575 Base-Backbone interact. energy: -5.084 local terms energy: -838.646441 where: bonds (distance) C4'-P energy: -168.295 bonds (distance) P-C4' energy: -194.862 flat angles C4'-P-C4' energy: -189.079 flat angles P-C4'-P energy: -124.233 tors. eta vs tors. theta energy: -162.176 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: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1660.899092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.899092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.899092 (E_RNA) where: Base-Base interactions energy: -871.262 where: short stacking energy: -583.663 Base-Backbone interact. energy: -0.994 local terms energy: -788.643572 where: bonds (distance) C4'-P energy: -178.745 bonds (distance) P-C4' energy: -171.536 flat angles C4'-P-C4' energy: -185.283 flat angles P-C4'-P energy: -112.943 tors. eta vs tors. theta energy: -140.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1498.991758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.991758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.991758 (E_RNA) where: Base-Base interactions energy: -746.979 where: short stacking energy: -499.216 Base-Backbone interact. energy: -1.514 local terms energy: -750.498138 where: bonds (distance) C4'-P energy: -187.509 bonds (distance) P-C4' energy: -177.711 flat angles C4'-P-C4' energy: -179.241 flat angles P-C4'-P energy: -94.522 tors. eta vs tors. theta energy: -111.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1480.059909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.059909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.059909 (E_RNA) where: Base-Base interactions energy: -775.642 where: short stacking energy: -513.996 Base-Backbone interact. energy: 6.137 local terms energy: -710.555445 where: bonds (distance) C4'-P energy: -175.202 bonds (distance) P-C4' energy: -163.698 flat angles C4'-P-C4' energy: -168.951 flat angles P-C4'-P energy: -104.135 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: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1260.448523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.448523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.448523 (E_RNA) where: Base-Base interactions energy: -646.692 where: short stacking energy: -417.510 Base-Backbone interact. energy: -0.037 local terms energy: -613.718901 where: bonds (distance) C4'-P energy: -157.691 bonds (distance) P-C4' energy: -175.439 flat angles C4'-P-C4' energy: -148.724 flat angles P-C4'-P energy: -86.564 tors. eta vs tors. theta energy: -45.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1221.922133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.922133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.922133 (E_RNA) where: Base-Base interactions energy: -585.516 where: short stacking energy: -332.076 Base-Backbone interact. energy: -2.417 local terms energy: -633.989619 where: bonds (distance) C4'-P energy: -171.137 bonds (distance) P-C4' energy: -172.033 flat angles C4'-P-C4' energy: -154.152 flat angles P-C4'-P energy: -91.089 tors. eta vs tors. theta energy: -45.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1181.154263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.154263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.154263 (E_RNA) where: Base-Base interactions energy: -592.495 where: short stacking energy: -336.023 Base-Backbone interact. energy: -1.149 local terms energy: -587.509767 where: bonds (distance) C4'-P energy: -147.082 bonds (distance) P-C4' energy: -153.014 flat angles C4'-P-C4' energy: -150.247 flat angles P-C4'-P energy: -98.948 tors. eta vs tors. theta energy: -38.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -867.305105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.305105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.305105 (E_RNA) where: Base-Base interactions energy: -372.192 where: short stacking energy: -261.056 Base-Backbone interact. energy: 10.199 local terms energy: -505.311645 where: bonds (distance) C4'-P energy: -154.104 bonds (distance) P-C4' energy: -144.290 flat angles C4'-P-C4' energy: -133.924 flat angles P-C4'-P energy: -77.640 tors. eta vs tors. theta energy: 4.646 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: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -676.274674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.274674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.274674 (E_RNA) where: Base-Base interactions energy: -206.130 where: short stacking energy: -169.970 Base-Backbone interact. energy: -4.339 local terms energy: -465.805230 where: bonds (distance) C4'-P energy: -132.407 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -141.593 flat angles P-C4'-P energy: -58.444 tors. eta vs tors. theta energy: 23.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -649.642904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.642904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.642904 (E_RNA) where: Base-Base interactions energy: -174.792 where: short stacking energy: -151.900 Base-Backbone interact. energy: -2.501 local terms energy: -472.349835 where: bonds (distance) C4'-P energy: -131.930 bonds (distance) P-C4' energy: -145.525 flat angles C4'-P-C4' energy: -131.027 flat angles P-C4'-P energy: -72.472 tors. eta vs tors. theta energy: 8.605 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: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1983.417731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.417731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.417731 (E_RNA) where: Base-Base interactions energy: -1147.449 where: short stacking energy: -638.710 Base-Backbone interact. energy: -4.945 local terms energy: -831.023830 where: bonds (distance) C4'-P energy: -174.051 bonds (distance) P-C4' energy: -194.044 flat angles C4'-P-C4' energy: -188.626 flat angles P-C4'-P energy: -111.569 tors. eta vs tors. theta energy: -162.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1721.282510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.282510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.282510 (E_RNA) where: Base-Base interactions energy: -972.281 where: short stacking energy: -587.467 Base-Backbone interact. energy: -2.270 local terms energy: -746.731092 where: bonds (distance) C4'-P energy: -163.228 bonds (distance) P-C4' energy: -175.496 flat angles C4'-P-C4' energy: -171.875 flat angles P-C4'-P energy: -105.314 tors. eta vs tors. theta energy: -130.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1517.305522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.305522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.305522 (E_RNA) where: Base-Base interactions energy: -774.937 where: short stacking energy: -521.878 Base-Backbone interact. energy: -3.379 local terms energy: -738.989007 where: bonds (distance) C4'-P energy: -144.009 bonds (distance) P-C4' energy: -176.319 flat angles C4'-P-C4' energy: -197.044 flat angles P-C4'-P energy: -101.706 tors. eta vs tors. theta energy: -119.911 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: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1433.785674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.785674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.785674 (E_RNA) where: Base-Base interactions energy: -737.374 where: short stacking energy: -479.568 Base-Backbone interact. energy: -2.290 local terms energy: -694.121789 where: bonds (distance) C4'-P energy: -149.564 bonds (distance) P-C4' energy: -177.853 flat angles C4'-P-C4' energy: -149.459 flat angles P-C4'-P energy: -112.295 tors. eta vs tors. theta energy: -104.951 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: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1425.974543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.974543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.974543 (E_RNA) where: Base-Base interactions energy: -776.312 where: short stacking energy: -443.698 Base-Backbone interact. energy: -2.355 local terms energy: -647.307343 where: bonds (distance) C4'-P energy: -149.737 bonds (distance) P-C4' energy: -179.223 flat angles C4'-P-C4' energy: -164.288 flat angles P-C4'-P energy: -92.546 tors. eta vs tors. theta energy: -61.514 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: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1192.437779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.437779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.437779 (E_RNA) where: Base-Base interactions energy: -598.167 where: short stacking energy: -360.862 Base-Backbone interact. energy: -1.253 local terms energy: -593.018072 where: bonds (distance) C4'-P energy: -150.380 bonds (distance) P-C4' energy: -161.824 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -86.902 tors. eta vs tors. theta energy: -58.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1170.511141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.511141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.511141 (E_RNA) where: Base-Base interactions energy: -614.145 where: short stacking energy: -339.439 Base-Backbone interact. energy: -3.138 local terms energy: -553.228109 where: bonds (distance) C4'-P energy: -151.872 bonds (distance) P-C4' energy: -142.451 flat angles C4'-P-C4' energy: -148.001 flat angles P-C4'-P energy: -68.710 tors. eta vs tors. theta energy: -42.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -863.118356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.118356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.118356 (E_RNA) where: Base-Base interactions energy: -330.584 where: short stacking energy: -238.184 Base-Backbone interact. energy: 1.287 local terms energy: -533.820892 where: bonds (distance) C4'-P energy: -160.940 bonds (distance) P-C4' energy: -165.465 flat angles C4'-P-C4' energy: -133.265 flat angles P-C4'-P energy: -73.590 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -710.979226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.979226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.979226 (E_RNA) where: Base-Base interactions energy: -213.094 where: short stacking energy: -176.976 Base-Backbone interact. energy: -0.233 local terms energy: -497.652117 where: bonds (distance) C4'-P energy: -148.236 bonds (distance) P-C4' energy: -162.974 flat angles C4'-P-C4' energy: -115.626 flat angles P-C4'-P energy: -92.503 tors. eta vs tors. theta energy: 21.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -659.102757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.102757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.102757 (E_RNA) where: Base-Base interactions energy: -211.615 where: short stacking energy: -179.579 Base-Backbone interact. energy: 0.090 local terms energy: -447.577484 where: bonds (distance) C4'-P energy: -163.564 bonds (distance) P-C4' energy: -140.784 flat angles C4'-P-C4' energy: -99.842 flat angles P-C4'-P energy: -76.493 tors. eta vs tors. theta energy: 33.105 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: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2167.829598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.829598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.829598 (E_RNA) where: Base-Base interactions energy: -1279.544 where: short stacking energy: -692.255 Base-Backbone interact. energy: -3.543 local terms energy: -884.742456 where: bonds (distance) C4'-P energy: -184.772 bonds (distance) P-C4' energy: -177.842 flat angles C4'-P-C4' energy: -201.733 flat angles P-C4'-P energy: -125.177 tors. eta vs tors. theta energy: -195.218 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: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1764.111000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.111000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.111000 (E_RNA) where: Base-Base interactions energy: -974.142 where: short stacking energy: -566.246 Base-Backbone interact. energy: 1.179 local terms energy: -791.148260 where: bonds (distance) C4'-P energy: -166.872 bonds (distance) P-C4' energy: -174.901 flat angles C4'-P-C4' energy: -196.261 flat angles P-C4'-P energy: -119.832 tors. eta vs tors. theta energy: -133.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1548.654094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.654094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.654094 (E_RNA) where: Base-Base interactions energy: -790.195 where: short stacking energy: -467.834 Base-Backbone interact. energy: -2.818 local terms energy: -755.641471 where: bonds (distance) C4'-P energy: -169.289 bonds (distance) P-C4' energy: -196.048 flat angles C4'-P-C4' energy: -178.227 flat angles P-C4'-P energy: -109.816 tors. eta vs tors. theta energy: -102.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1699.406097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.406097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.406097 (E_RNA) where: Base-Base interactions energy: -977.165 where: short stacking energy: -489.624 Base-Backbone interact. energy: -2.110 local terms energy: -720.130308 where: bonds (distance) C4'-P energy: -158.320 bonds (distance) P-C4' energy: -183.438 flat angles C4'-P-C4' energy: -161.729 flat angles P-C4'-P energy: -112.389 tors. eta vs tors. theta energy: -104.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1331.435694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.435694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.435694 (E_RNA) where: Base-Base interactions energy: -677.832 where: short stacking energy: -391.415 Base-Backbone interact. energy: -1.357 local terms energy: -652.247029 where: bonds (distance) C4'-P energy: -156.782 bonds (distance) P-C4' energy: -173.817 flat angles C4'-P-C4' energy: -162.138 flat angles P-C4'-P energy: -91.671 tors. eta vs tors. theta energy: -67.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1133.949277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.949277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.949277 (E_RNA) where: Base-Base interactions energy: -541.609 where: short stacking energy: -331.342 Base-Backbone interact. energy: 1.661 local terms energy: -594.001027 where: bonds (distance) C4'-P energy: -157.348 bonds (distance) P-C4' energy: -187.999 flat angles C4'-P-C4' energy: -147.098 flat angles P-C4'-P energy: -79.599 tors. eta vs tors. theta energy: -21.957 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: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1166.100035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.100035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.100035 (E_RNA) where: Base-Base interactions energy: -603.639 where: short stacking energy: -312.401 Base-Backbone interact. energy: -2.766 local terms energy: -559.695094 where: bonds (distance) C4'-P energy: -168.762 bonds (distance) P-C4' energy: -176.326 flat angles C4'-P-C4' energy: -126.820 flat angles P-C4'-P energy: -75.860 tors. eta vs tors. theta energy: -11.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -841.806913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.806913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.806913 (E_RNA) where: Base-Base interactions energy: -307.605 where: short stacking energy: -238.972 Base-Backbone interact. energy: 1.596 local terms energy: -535.798666 where: bonds (distance) C4'-P energy: -155.615 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -125.834 flat angles P-C4'-P energy: -100.860 tors. eta vs tors. theta energy: 1.672 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: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -764.830269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.830269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.830269 (E_RNA) where: Base-Base interactions energy: -302.041 where: short stacking energy: -215.241 Base-Backbone interact. energy: 1.005 local terms energy: -463.793691 where: bonds (distance) C4'-P energy: -136.866 bonds (distance) P-C4' energy: -142.616 flat angles C4'-P-C4' energy: -127.024 flat angles P-C4'-P energy: -77.228 tors. eta vs tors. theta energy: 19.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -652.314882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.314882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.314882 (E_RNA) where: Base-Base interactions energy: -195.576 where: short stacking energy: -175.553 Base-Backbone interact. energy: 0.879 local terms energy: -457.617550 where: bonds (distance) C4'-P energy: -160.118 bonds (distance) P-C4' energy: -149.437 flat angles C4'-P-C4' energy: -114.731 flat angles P-C4'-P energy: -57.964 tors. eta vs tors. theta energy: 24.633 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: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2115.285881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.285881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.285881 (E_RNA) where: Base-Base interactions energy: -1260.287 where: short stacking energy: -661.773 Base-Backbone interact. energy: -0.314 local terms energy: -854.685471 where: bonds (distance) C4'-P energy: -173.701 bonds (distance) P-C4' energy: -188.686 flat angles C4'-P-C4' energy: -206.191 flat angles P-C4'-P energy: -110.618 tors. eta vs tors. theta energy: -175.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1873.541436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.541436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.541436 (E_RNA) where: Base-Base interactions energy: -1053.268 where: short stacking energy: -602.090 Base-Backbone interact. energy: 2.212 local terms energy: -822.486168 where: bonds (distance) C4'-P energy: -196.482 bonds (distance) P-C4' energy: -184.151 flat angles C4'-P-C4' energy: -169.633 flat angles P-C4'-P energy: -124.965 tors. eta vs tors. theta energy: -147.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1881.868956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.868956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.868956 (E_RNA) where: Base-Base interactions energy: -1140.207 where: short stacking energy: -579.918 Base-Backbone interact. energy: 1.312 local terms energy: -742.973827 where: bonds (distance) C4'-P energy: -159.863 bonds (distance) P-C4' energy: -168.836 flat angles C4'-P-C4' energy: -168.621 flat angles P-C4'-P energy: -98.160 tors. eta vs tors. theta energy: -147.494 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: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1477.379201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.379201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.379201 (E_RNA) where: Base-Base interactions energy: -769.519 where: short stacking energy: -498.057 Base-Backbone interact. energy: -1.645 local terms energy: -706.214915 where: bonds (distance) C4'-P energy: -161.342 bonds (distance) P-C4' energy: -173.199 flat angles C4'-P-C4' energy: -172.529 flat angles P-C4'-P energy: -108.861 tors. eta vs tors. theta energy: -90.284 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: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1328.972748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.972748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.972748 (E_RNA) where: Base-Base interactions energy: -658.638 where: short stacking energy: -378.178 Base-Backbone interact. energy: -2.142 local terms energy: -668.192729 where: bonds (distance) C4'-P energy: -157.422 bonds (distance) P-C4' energy: -192.834 flat angles C4'-P-C4' energy: -164.528 flat angles P-C4'-P energy: -98.741 tors. eta vs tors. theta energy: -54.668 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: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1150.493748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.493748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.493748 (E_RNA) where: Base-Base interactions energy: -532.337 where: short stacking energy: -338.886 Base-Backbone interact. energy: -2.560 local terms energy: -615.596520 where: bonds (distance) C4'-P energy: -152.645 bonds (distance) P-C4' energy: -172.383 flat angles C4'-P-C4' energy: -142.779 flat angles P-C4'-P energy: -107.688 tors. eta vs tors. theta energy: -40.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1200.906392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.906392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.906392 (E_RNA) where: Base-Base interactions energy: -625.076 where: short stacking energy: -311.417 Base-Backbone interact. energy: 4.091 local terms energy: -579.921469 where: bonds (distance) C4'-P energy: -174.623 bonds (distance) P-C4' energy: -154.144 flat angles C4'-P-C4' energy: -140.133 flat angles P-C4'-P energy: -77.977 tors. eta vs tors. theta energy: -33.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -834.914747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.914747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.914747 (E_RNA) where: Base-Base interactions energy: -340.950 where: short stacking energy: -237.382 Base-Backbone interact. energy: 2.496 local terms energy: -496.461394 where: bonds (distance) C4'-P energy: -148.611 bonds (distance) P-C4' energy: -159.307 flat angles C4'-P-C4' energy: -138.763 flat angles P-C4'-P energy: -74.058 tors. eta vs tors. theta energy: 24.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -796.616786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.616786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.616786 (E_RNA) where: Base-Base interactions energy: -298.195 where: short stacking energy: -179.778 Base-Backbone interact. energy: 6.225 local terms energy: -504.646996 where: bonds (distance) C4'-P energy: -150.555 bonds (distance) P-C4' energy: -150.038 flat angles C4'-P-C4' energy: -141.438 flat angles P-C4'-P energy: -102.093 tors. eta vs tors. theta energy: 39.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -640.173919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.173919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.173919 (E_RNA) where: Base-Base interactions energy: -239.279 where: short stacking energy: -160.580 Base-Backbone interact. energy: -1.318 local terms energy: -399.577367 where: bonds (distance) C4'-P energy: -139.624 bonds (distance) P-C4' energy: -146.956 flat angles C4'-P-C4' energy: -89.237 flat angles P-C4'-P energy: -58.670 tors. eta vs tors. theta energy: 34.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2121.964302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.964302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.964302 (E_RNA) where: Base-Base interactions energy: -1277.496 where: short stacking energy: -674.101 Base-Backbone interact. energy: -5.432 local terms energy: -839.036943 where: bonds (distance) C4'-P energy: -178.621 bonds (distance) P-C4' energy: -188.268 flat angles C4'-P-C4' energy: -180.633 flat angles P-C4'-P energy: -114.263 tors. eta vs tors. theta energy: -177.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2047.113713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.113713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.113713 (E_RNA) where: Base-Base interactions energy: -1187.067 where: short stacking energy: -634.799 Base-Backbone interact. energy: -1.428 local terms energy: -858.618751 where: bonds (distance) C4'-P energy: -202.348 bonds (distance) P-C4' energy: -182.568 flat angles C4'-P-C4' energy: -180.519 flat angles P-C4'-P energy: -120.454 tors. eta vs tors. theta energy: -172.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1701.334135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.334135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.334135 (E_RNA) where: Base-Base interactions energy: -961.385 where: short stacking energy: -541.786 Base-Backbone interact. energy: -3.180 local terms energy: -736.768743 where: bonds (distance) C4'-P energy: -175.143 bonds (distance) P-C4' energy: -161.277 flat angles C4'-P-C4' energy: -151.295 flat angles P-C4'-P energy: -114.798 tors. eta vs tors. theta energy: -134.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1441.381299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.381299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.381299 (E_RNA) where: Base-Base interactions energy: -754.748 where: short stacking energy: -452.141 Base-Backbone interact. energy: -1.882 local terms energy: -684.751428 where: bonds (distance) C4'-P energy: -157.195 bonds (distance) P-C4' energy: -166.739 flat angles C4'-P-C4' energy: -160.343 flat angles P-C4'-P energy: -111.178 tors. eta vs tors. theta energy: -89.297 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: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1350.103032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.103032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.103032 (E_RNA) where: Base-Base interactions energy: -722.035 where: short stacking energy: -398.899 Base-Backbone interact. energy: -1.304 local terms energy: -626.763803 where: bonds (distance) C4'-P energy: -157.287 bonds (distance) P-C4' energy: -169.567 flat angles C4'-P-C4' energy: -165.505 flat angles P-C4'-P energy: -88.810 tors. eta vs tors. theta energy: -45.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1221.076418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.076418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.076418 (E_RNA) where: Base-Base interactions energy: -592.787 where: short stacking energy: -304.589 Base-Backbone interact. energy: -4.257 local terms energy: -624.033146 where: bonds (distance) C4'-P energy: -161.436 bonds (distance) P-C4' energy: -173.656 flat angles C4'-P-C4' energy: -133.101 flat angles P-C4'-P energy: -106.294 tors. eta vs tors. theta energy: -49.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1026.251105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.251105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.251105 (E_RNA) where: Base-Base interactions energy: -471.916 where: short stacking energy: -258.480 Base-Backbone interact. energy: -0.941 local terms energy: -553.393536 where: bonds (distance) C4'-P energy: -144.115 bonds (distance) P-C4' energy: -167.712 flat angles C4'-P-C4' energy: -143.200 flat angles P-C4'-P energy: -90.447 tors. eta vs tors. theta energy: -7.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -860.732942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.732942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.732942 (E_RNA) where: Base-Base interactions energy: -393.764 where: short stacking energy: -243.987 Base-Backbone interact. energy: -1.178 local terms energy: -465.791402 where: bonds (distance) C4'-P energy: -142.007 bonds (distance) P-C4' energy: -162.478 flat angles C4'-P-C4' energy: -102.612 flat angles P-C4'-P energy: -76.933 tors. eta vs tors. theta energy: 18.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -802.667660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.667660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.667660 (E_RNA) where: Base-Base interactions energy: -339.631 where: short stacking energy: -245.240 Base-Backbone interact. energy: 1.084 local terms energy: -464.120668 where: bonds (distance) C4'-P energy: -137.750 bonds (distance) P-C4' energy: -159.023 flat angles C4'-P-C4' energy: -115.534 flat angles P-C4'-P energy: -61.268 tors. eta vs tors. theta energy: 9.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -645.994168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.994168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.994168 (E_RNA) where: Base-Base interactions energy: -188.938 where: short stacking energy: -142.491 Base-Backbone interact. energy: 0.292 local terms energy: -457.348378 where: bonds (distance) C4'-P energy: -138.520 bonds (distance) P-C4' energy: -131.634 flat angles C4'-P-C4' energy: -145.220 flat angles P-C4'-P energy: -95.680 tors. eta vs tors. theta energy: 53.706 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: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2140.299624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.299624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.299624 (E_RNA) where: Base-Base interactions energy: -1298.708 where: short stacking energy: -689.572 Base-Backbone interact. energy: 0.968 local terms energy: -842.559183 where: bonds (distance) C4'-P energy: -169.280 bonds (distance) P-C4' energy: -179.653 flat angles C4'-P-C4' energy: -193.130 flat angles P-C4'-P energy: -120.170 tors. eta vs tors. theta energy: -180.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2020.312441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.312441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.312441 (E_RNA) where: Base-Base interactions energy: -1150.994 where: short stacking energy: -631.683 Base-Backbone interact. energy: -0.514 local terms energy: -868.804185 where: bonds (distance) C4'-P energy: -178.535 bonds (distance) P-C4' energy: -180.007 flat angles C4'-P-C4' energy: -197.294 flat angles P-C4'-P energy: -138.064 tors. eta vs tors. theta energy: -174.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1797.312404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.312404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.312404 (E_RNA) where: Base-Base interactions energy: -1035.047 where: short stacking energy: -538.001 Base-Backbone interact. energy: 3.134 local terms energy: -765.399447 where: bonds (distance) C4'-P energy: -180.341 bonds (distance) P-C4' energy: -178.502 flat angles C4'-P-C4' energy: -193.872 flat angles P-C4'-P energy: -105.241 tors. eta vs tors. theta energy: -107.442 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: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1412.405779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.405779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.405779 (E_RNA) where: Base-Base interactions energy: -702.763 where: short stacking energy: -444.862 Base-Backbone interact. energy: -2.238 local terms energy: -707.404171 where: bonds (distance) C4'-P energy: -165.209 bonds (distance) P-C4' energy: -186.913 flat angles C4'-P-C4' energy: -167.740 flat angles P-C4'-P energy: -115.244 tors. eta vs tors. theta energy: -72.298 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: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1420.056357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.056357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.056357 (E_RNA) where: Base-Base interactions energy: -804.788 where: short stacking energy: -417.513 Base-Backbone interact. energy: 5.274 local terms energy: -620.541744 where: bonds (distance) C4'-P energy: -148.946 bonds (distance) P-C4' energy: -165.552 flat angles C4'-P-C4' energy: -166.043 flat angles P-C4'-P energy: -83.460 tors. eta vs tors. theta energy: -56.540 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: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1235.635594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.635594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.635594 (E_RNA) where: Base-Base interactions energy: -637.833 where: short stacking energy: -368.696 Base-Backbone interact. energy: 3.228 local terms energy: -601.030558 where: bonds (distance) C4'-P energy: -159.598 bonds (distance) P-C4' energy: -171.217 flat angles C4'-P-C4' energy: -140.944 flat angles P-C4'-P energy: -85.650 tors. eta vs tors. theta energy: -43.622 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: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -933.670836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.670836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.670836 (E_RNA) where: Base-Base interactions energy: -389.192 where: short stacking energy: -269.146 Base-Backbone interact. energy: 2.262 local terms energy: -546.741581 where: bonds (distance) C4'-P energy: -152.479 bonds (distance) P-C4' energy: -166.176 flat angles C4'-P-C4' energy: -143.407 flat angles P-C4'-P energy: -72.499 tors. eta vs tors. theta energy: -12.180 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: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -856.753186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.753186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.753186 (E_RNA) where: Base-Base interactions energy: -320.638 where: short stacking energy: -222.196 Base-Backbone interact. energy: -1.794 local terms energy: -534.321253 where: bonds (distance) C4'-P energy: -153.403 bonds (distance) P-C4' energy: -160.214 flat angles C4'-P-C4' energy: -149.262 flat angles P-C4'-P energy: -70.883 tors. eta vs tors. theta energy: -0.559 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: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -721.619729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.619729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.619729 (E_RNA) where: Base-Base interactions energy: -233.297 where: short stacking energy: -189.591 Base-Backbone interact. energy: 1.807 local terms energy: -490.130088 where: bonds (distance) C4'-P energy: -141.695 bonds (distance) P-C4' energy: -156.219 flat angles C4'-P-C4' energy: -142.031 flat angles P-C4'-P energy: -79.258 tors. eta vs tors. theta energy: 29.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -654.041221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.041221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.041221 (E_RNA) where: Base-Base interactions energy: -227.702 where: short stacking energy: -154.630 Base-Backbone interact. energy: 1.083 local terms energy: -427.422666 where: bonds (distance) C4'-P energy: -147.853 bonds (distance) P-C4' energy: -144.229 flat angles C4'-P-C4' energy: -112.946 flat angles P-C4'-P energy: -87.465 tors. eta vs tors. theta energy: 65.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2201.547449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.547449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.547449 (E_RNA) where: Base-Base interactions energy: -1340.660 where: short stacking energy: -701.682 Base-Backbone interact. energy: 0.336 local terms energy: -861.224012 where: bonds (distance) C4'-P energy: -166.932 bonds (distance) P-C4' energy: -195.724 flat angles C4'-P-C4' energy: -192.185 flat angles P-C4'-P energy: -109.387 tors. eta vs tors. theta energy: -196.996 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: 2, replica: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2115.170187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.170187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.170187 (E_RNA) where: Base-Base interactions energy: -1276.411 where: short stacking energy: -663.099 Base-Backbone interact. energy: 1.608 local terms energy: -840.367221 where: bonds (distance) C4'-P energy: -175.409 bonds (distance) P-C4' energy: -193.008 flat angles C4'-P-C4' energy: -180.370 flat angles P-C4'-P energy: -123.392 tors. eta vs tors. theta energy: -168.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1776.993367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.993367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.993367 (E_RNA) where: Base-Base interactions energy: -1021.694 where: short stacking energy: -550.104 Base-Backbone interact. energy: 3.416 local terms energy: -758.714916 where: bonds (distance) C4'-P energy: -185.320 bonds (distance) P-C4' energy: -177.013 flat angles C4'-P-C4' energy: -157.961 flat angles P-C4'-P energy: -113.359 tors. eta vs tors. theta energy: -125.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1512.348183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.348183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.348183 (E_RNA) where: Base-Base interactions energy: -804.209 where: short stacking energy: -449.037 Base-Backbone interact. energy: -4.855 local terms energy: -703.283872 where: bonds (distance) C4'-P energy: -183.383 bonds (distance) P-C4' energy: -172.886 flat angles C4'-P-C4' energy: -159.211 flat angles P-C4'-P energy: -90.023 tors. eta vs tors. theta energy: -97.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1486.432290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.432290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.432290 (E_RNA) where: Base-Base interactions energy: -832.315 where: short stacking energy: -423.195 Base-Backbone interact. energy: 1.116 local terms energy: -655.232646 where: bonds (distance) C4'-P energy: -162.726 bonds (distance) P-C4' energy: -161.180 flat angles C4'-P-C4' energy: -167.843 flat angles P-C4'-P energy: -86.112 tors. eta vs tors. theta energy: -77.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1253.941439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.941439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.941439 (E_RNA) where: Base-Base interactions energy: -642.395 where: short stacking energy: -352.742 Base-Backbone interact. energy: -1.147 local terms energy: -610.400004 where: bonds (distance) C4'-P energy: -131.446 bonds (distance) P-C4' energy: -158.809 flat angles C4'-P-C4' energy: -168.903 flat angles P-C4'-P energy: -103.043 tors. eta vs tors. theta energy: -48.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1018.780039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.780039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.780039 (E_RNA) where: Base-Base interactions energy: -467.377 where: short stacking energy: -296.778 Base-Backbone interact. energy: 0.175 local terms energy: -551.578452 where: bonds (distance) C4'-P energy: -147.130 bonds (distance) P-C4' energy: -180.729 flat angles C4'-P-C4' energy: -135.115 flat angles P-C4'-P energy: -79.789 tors. eta vs tors. theta energy: -8.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -863.148469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.148469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.148469 (E_RNA) where: Base-Base interactions energy: -349.546 where: short stacking energy: -248.929 Base-Backbone interact. energy: 1.160 local terms energy: -514.763081 where: bonds (distance) C4'-P energy: -178.381 bonds (distance) P-C4' energy: -125.125 flat angles C4'-P-C4' energy: -139.637 flat angles P-C4'-P energy: -77.960 tors. eta vs tors. theta energy: 6.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -710.591615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.591615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.591615 (E_RNA) where: Base-Base interactions energy: -255.653 where: short stacking energy: -194.114 Base-Backbone interact. energy: -1.929 local terms energy: -453.009585 where: bonds (distance) C4'-P energy: -136.569 bonds (distance) P-C4' energy: -155.170 flat angles C4'-P-C4' energy: -132.634 flat angles P-C4'-P energy: -63.850 tors. eta vs tors. theta energy: 35.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -630.726875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.726875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.726875 (E_RNA) where: Base-Base interactions energy: -216.111 where: short stacking energy: -169.837 Base-Backbone interact. energy: 0.590 local terms energy: -415.205024 where: bonds (distance) C4'-P energy: -147.964 bonds (distance) P-C4' energy: -153.944 flat angles C4'-P-C4' energy: -100.005 flat angles P-C4'-P energy: -55.855 tors. eta vs tors. theta energy: 42.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2236.220212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.220212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.220212 (E_RNA) where: Base-Base interactions energy: -1355.501 where: short stacking energy: -722.023 Base-Backbone interact. energy: -1.631 local terms energy: -879.087892 where: bonds (distance) C4'-P energy: -197.186 bonds (distance) P-C4' energy: -177.461 flat angles C4'-P-C4' energy: -176.751 flat angles P-C4'-P energy: -123.099 tors. eta vs tors. theta energy: -204.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2107.839304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.839304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.839304 (E_RNA) where: Base-Base interactions energy: -1288.631 where: short stacking energy: -675.209 Base-Backbone interact. energy: 1.246 local terms energy: -820.453915 where: bonds (distance) C4'-P energy: -182.864 bonds (distance) P-C4' energy: -174.215 flat angles C4'-P-C4' energy: -184.521 flat angles P-C4'-P energy: -105.006 tors. eta vs tors. theta energy: -173.848 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1775.051001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.051001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.051001 (E_RNA) where: Base-Base interactions energy: -1007.825 where: short stacking energy: -572.128 Base-Backbone interact. energy: -3.377 local terms energy: -763.849532 where: bonds (distance) C4'-P energy: -173.010 bonds (distance) P-C4' energy: -173.220 flat angles C4'-P-C4' energy: -177.700 flat angles P-C4'-P energy: -105.870 tors. eta vs tors. theta energy: -134.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1508.838312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.838312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.838312 (E_RNA) where: Base-Base interactions energy: -809.739 where: short stacking energy: -452.624 Base-Backbone interact. energy: 2.083 local terms energy: -701.182359 where: bonds (distance) C4'-P energy: -152.719 bonds (distance) P-C4' energy: -188.227 flat angles C4'-P-C4' energy: -164.710 flat angles P-C4'-P energy: -108.781 tors. eta vs tors. theta energy: -86.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1514.927085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.927085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.927085 (E_RNA) where: Base-Base interactions energy: -842.333 where: short stacking energy: -449.001 Base-Backbone interact. energy: -0.084 local terms energy: -672.510260 where: bonds (distance) C4'-P energy: -166.429 bonds (distance) P-C4' energy: -179.814 flat angles C4'-P-C4' energy: -158.118 flat angles P-C4'-P energy: -96.943 tors. eta vs tors. theta energy: -71.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1204.588487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.588487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.588487 (E_RNA) where: Base-Base interactions energy: -601.402 where: short stacking energy: -341.166 Base-Backbone interact. energy: -0.893 local terms energy: -602.293402 where: bonds (distance) C4'-P energy: -170.884 bonds (distance) P-C4' energy: -154.913 flat angles C4'-P-C4' energy: -152.140 flat angles P-C4'-P energy: -90.307 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: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1115.186965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.186965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.186965 (E_RNA) where: Base-Base interactions energy: -562.839 where: short stacking energy: -317.196 Base-Backbone interact. energy: 3.561 local terms energy: -555.908840 where: bonds (distance) C4'-P energy: -155.351 bonds (distance) P-C4' energy: -155.175 flat angles C4'-P-C4' energy: -131.902 flat angles P-C4'-P energy: -81.193 tors. eta vs tors. theta energy: -32.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -784.989126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.989126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.989126 (E_RNA) where: Base-Base interactions energy: -275.868 where: short stacking energy: -211.579 Base-Backbone interact. energy: 2.706 local terms energy: -511.826735 where: bonds (distance) C4'-P energy: -134.656 bonds (distance) P-C4' energy: -166.416 flat angles C4'-P-C4' energy: -144.267 flat angles P-C4'-P energy: -72.180 tors. eta vs tors. theta energy: 5.693 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: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -730.451088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.451088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.451088 (E_RNA) where: Base-Base interactions energy: -220.362 where: short stacking energy: -173.606 Base-Backbone interact. energy: 2.576 local terms energy: -512.664732 where: bonds (distance) C4'-P energy: -152.873 bonds (distance) P-C4' energy: -162.365 flat angles C4'-P-C4' energy: -135.285 flat angles P-C4'-P energy: -88.385 tors. eta vs tors. theta energy: 26.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -695.776984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.776984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.776984 (E_RNA) where: Base-Base interactions energy: -240.950 where: short stacking energy: -189.355 Base-Backbone interact. energy: -2.061 local terms energy: -452.765638 where: bonds (distance) C4'-P energy: -132.484 bonds (distance) P-C4' energy: -138.953 flat angles C4'-P-C4' energy: -136.878 flat angles P-C4'-P energy: -85.831 tors. eta vs tors. theta energy: 41.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2253.399898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.399898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.399898 (E_RNA) where: Base-Base interactions energy: -1373.574 where: short stacking energy: -709.164 Base-Backbone interact. energy: -2.031 local terms energy: -877.795096 where: bonds (distance) C4'-P energy: -162.530 bonds (distance) P-C4' energy: -183.871 flat angles C4'-P-C4' energy: -195.664 flat angles P-C4'-P energy: -137.925 tors. eta vs tors. theta energy: -197.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2153.270922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.270922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.270922 (E_RNA) where: Base-Base interactions energy: -1318.570 where: short stacking energy: -658.558 Base-Backbone interact. energy: 1.341 local terms energy: -836.041636 where: bonds (distance) C4'-P energy: -185.250 bonds (distance) P-C4' energy: -178.742 flat angles C4'-P-C4' energy: -184.290 flat angles P-C4'-P energy: -114.627 tors. eta vs tors. theta energy: -173.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1802.657564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.657564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.657564 (E_RNA) where: Base-Base interactions energy: -1022.753 where: short stacking energy: -515.477 Base-Backbone interact. energy: -3.909 local terms energy: -775.995219 where: bonds (distance) C4'-P energy: -173.720 bonds (distance) P-C4' energy: -188.187 flat angles C4'-P-C4' energy: -175.866 flat angles P-C4'-P energy: -121.965 tors. eta vs tors. theta energy: -116.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1523.232733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.232733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.232733 (E_RNA) where: Base-Base interactions energy: -831.953 where: short stacking energy: -489.955 Base-Backbone interact. energy: 0.778 local terms energy: -692.057355 where: bonds (distance) C4'-P energy: -156.689 bonds (distance) P-C4' energy: -170.059 flat angles C4'-P-C4' energy: -157.996 flat angles P-C4'-P energy: -104.381 tors. eta vs tors. theta energy: -102.932 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: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1445.371457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.371457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.371457 (E_RNA) where: Base-Base interactions energy: -797.681 where: short stacking energy: -435.680 Base-Backbone interact. energy: 0.606 local terms energy: -648.295923 where: bonds (distance) C4'-P energy: -154.480 bonds (distance) P-C4' energy: -170.584 flat angles C4'-P-C4' energy: -167.819 flat angles P-C4'-P energy: -98.216 tors. eta vs tors. theta energy: -57.196 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: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1291.905835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.905835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.905835 (E_RNA) where: Base-Base interactions energy: -657.509 where: short stacking energy: -358.754 Base-Backbone interact. energy: -2.368 local terms energy: -632.028719 where: bonds (distance) C4'-P energy: -165.815 bonds (distance) P-C4' energy: -169.406 flat angles C4'-P-C4' energy: -150.913 flat angles P-C4'-P energy: -85.727 tors. eta vs tors. theta energy: -60.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1227.784263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.784263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.784263 (E_RNA) where: Base-Base interactions energy: -653.873 where: short stacking energy: -372.688 Base-Backbone interact. energy: 3.354 local terms energy: -577.265129 where: bonds (distance) C4'-P energy: -148.540 bonds (distance) P-C4' energy: -143.459 flat angles C4'-P-C4' energy: -142.411 flat angles P-C4'-P energy: -89.590 tors. eta vs tors. theta energy: -53.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -800.481782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.481782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.481782 (E_RNA) where: Base-Base interactions energy: -298.965 where: short stacking energy: -216.299 Base-Backbone interact. energy: 5.725 local terms energy: -507.242304 where: bonds (distance) C4'-P energy: -149.975 bonds (distance) P-C4' energy: -142.599 flat angles C4'-P-C4' energy: -134.734 flat angles P-C4'-P energy: -71.561 tors. eta vs tors. theta energy: -8.373 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: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -751.570104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.570104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.570104 (E_RNA) where: Base-Base interactions energy: -269.517 where: short stacking energy: -211.088 Base-Backbone interact. energy: -0.278 local terms energy: -481.775252 where: bonds (distance) C4'-P energy: -122.497 bonds (distance) P-C4' energy: -170.182 flat angles C4'-P-C4' energy: -140.790 flat angles P-C4'-P energy: -59.547 tors. eta vs tors. theta energy: 11.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -668.949362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.949362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.949362 (E_RNA) where: Base-Base interactions energy: -232.022 where: short stacking energy: -196.928 Base-Backbone interact. energy: -2.455 local terms energy: -434.472218 where: bonds (distance) C4'-P energy: -126.599 bonds (distance) P-C4' energy: -164.472 flat angles C4'-P-C4' energy: -109.806 flat angles P-C4'-P energy: -66.661 tors. eta vs tors. theta energy: 33.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2235.354140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.354140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.354140 (E_RNA) where: Base-Base interactions energy: -1382.648 where: short stacking energy: -671.921 Base-Backbone interact. energy: -5.515 local terms energy: -847.191590 where: bonds (distance) C4'-P energy: -177.362 bonds (distance) P-C4' energy: -182.239 flat angles C4'-P-C4' energy: -189.244 flat angles P-C4'-P energy: -118.227 tors. eta vs tors. theta energy: -180.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2215.267577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.267577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.267577 (E_RNA) where: Base-Base interactions energy: -1368.905 where: short stacking energy: -711.455 Base-Backbone interact. energy: 0.311 local terms energy: -846.674224 where: bonds (distance) C4'-P energy: -172.562 bonds (distance) P-C4' energy: -177.705 flat angles C4'-P-C4' energy: -186.628 flat angles P-C4'-P energy: -120.172 tors. eta vs tors. theta energy: -189.607 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: 22 Temperature: 1.000000 Total energy: -1808.194101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.194101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.194101 (E_RNA) where: Base-Base interactions energy: -1032.768 where: short stacking energy: -511.639 Base-Backbone interact. energy: -2.143 local terms energy: -773.282987 where: bonds (distance) C4'-P energy: -174.442 bonds (distance) P-C4' energy: -177.833 flat angles C4'-P-C4' energy: -185.368 flat angles P-C4'-P energy: -113.496 tors. eta vs tors. theta energy: -122.144 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: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1536.113026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.113026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.113026 (E_RNA) where: Base-Base interactions energy: -817.446 where: short stacking energy: -466.928 Base-Backbone interact. energy: -1.796 local terms energy: -716.871112 where: bonds (distance) C4'-P energy: -171.562 bonds (distance) P-C4' energy: -172.101 flat angles C4'-P-C4' energy: -173.050 flat angles P-C4'-P energy: -105.216 tors. eta vs tors. theta energy: -94.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1455.603806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.603806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.603806 (E_RNA) where: Base-Base interactions energy: -794.056 where: short stacking energy: -434.096 Base-Backbone interact. energy: 0.377 local terms energy: -661.924845 where: bonds (distance) C4'-P energy: -169.469 bonds (distance) P-C4' energy: -150.716 flat angles C4'-P-C4' energy: -154.430 flat angles P-C4'-P energy: -115.111 tors. eta vs tors. theta energy: -72.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1317.041834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.041834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.041834 (E_RNA) where: Base-Base interactions energy: -697.599 where: short stacking energy: -368.231 Base-Backbone interact. energy: 0.271 local terms energy: -619.713725 where: bonds (distance) C4'-P energy: -149.697 bonds (distance) P-C4' energy: -147.601 flat angles C4'-P-C4' energy: -172.033 flat angles P-C4'-P energy: -103.567 tors. eta vs tors. theta energy: -46.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1240.111620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.111620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.111620 (E_RNA) where: Base-Base interactions energy: -644.088 where: short stacking energy: -352.046 Base-Backbone interact. energy: 2.875 local terms energy: -598.898730 where: bonds (distance) C4'-P energy: -149.153 bonds (distance) P-C4' energy: -182.349 flat angles C4'-P-C4' energy: -132.781 flat angles P-C4'-P energy: -79.665 tors. eta vs tors. theta energy: -54.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -855.282791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.282791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.282791 (E_RNA) where: Base-Base interactions energy: -369.197 where: short stacking energy: -235.418 Base-Backbone interact. energy: -0.921 local terms energy: -485.164009 where: bonds (distance) C4'-P energy: -150.323 bonds (distance) P-C4' energy: -169.990 flat angles C4'-P-C4' energy: -111.722 flat angles P-C4'-P energy: -64.669 tors. eta vs tors. theta energy: 11.539 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: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -896.339231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.339231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.339231 (E_RNA) where: Base-Base interactions energy: -417.482 where: short stacking energy: -261.235 Base-Backbone interact. energy: 9.101 local terms energy: -487.958527 where: bonds (distance) C4'-P energy: -157.494 bonds (distance) P-C4' energy: -153.118 flat angles C4'-P-C4' energy: -113.099 flat angles P-C4'-P energy: -87.602 tors. eta vs tors. theta energy: 23.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -654.807056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.807056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.807056 (E_RNA) where: Base-Base interactions energy: -255.387 where: short stacking energy: -158.318 Base-Backbone interact. energy: 6.359 local terms energy: -405.779261 where: bonds (distance) C4'-P energy: -112.001 bonds (distance) P-C4' energy: -159.794 flat angles C4'-P-C4' energy: -127.549 flat angles P-C4'-P energy: -62.121 tors. eta vs tors. theta energy: 55.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2271.869468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.869468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.869468 (E_RNA) where: Base-Base interactions energy: -1370.442 where: short stacking energy: -712.604 Base-Backbone interact. energy: -0.246 local terms energy: -901.181411 where: bonds (distance) C4'-P energy: -173.276 bonds (distance) P-C4' energy: -197.749 flat angles C4'-P-C4' energy: -203.384 flat angles P-C4'-P energy: -138.466 tors. eta vs tors. theta energy: -188.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2204.208992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.208992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.208992 (E_RNA) where: Base-Base interactions energy: -1337.002 where: short stacking energy: -690.287 Base-Backbone interact. energy: -1.305 local terms energy: -865.901905 where: bonds (distance) C4'-P energy: -176.319 bonds (distance) P-C4' energy: -187.985 flat angles C4'-P-C4' energy: -179.029 flat angles P-C4'-P energy: -129.719 tors. eta vs tors. theta energy: -192.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1825.803595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.803595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.803595 (E_RNA) where: Base-Base interactions energy: -1056.090 where: short stacking energy: -513.687 Base-Backbone interact. energy: -3.930 local terms energy: -765.783526 where: bonds (distance) C4'-P energy: -172.220 bonds (distance) P-C4' energy: -176.747 flat angles C4'-P-C4' energy: -165.004 flat angles P-C4'-P energy: -121.169 tors. eta vs tors. theta energy: -130.644 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: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1560.816717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.816717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.816717 (E_RNA) where: Base-Base interactions energy: -901.581 where: short stacking energy: -467.918 Base-Backbone interact. energy: -2.740 local terms energy: -656.495833 where: bonds (distance) C4'-P energy: -146.679 bonds (distance) P-C4' energy: -171.529 flat angles C4'-P-C4' energy: -171.587 flat angles P-C4'-P energy: -82.480 tors. eta vs tors. theta energy: -84.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1393.139276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.139276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.139276 (E_RNA) where: Base-Base interactions energy: -709.656 where: short stacking energy: -449.017 Base-Backbone interact. energy: 0.233 local terms energy: -683.716334 where: bonds (distance) C4'-P energy: -161.102 bonds (distance) P-C4' energy: -177.793 flat angles C4'-P-C4' energy: -166.443 flat angles P-C4'-P energy: -104.264 tors. eta vs tors. theta energy: -74.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1359.944866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.944866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.944866 (E_RNA) where: Base-Base interactions energy: -734.141 where: short stacking energy: -396.877 Base-Backbone interact. energy: 4.734 local terms energy: -630.538210 where: bonds (distance) C4'-P energy: -145.829 bonds (distance) P-C4' energy: -165.905 flat angles C4'-P-C4' energy: -155.446 flat angles P-C4'-P energy: -92.729 tors. eta vs tors. theta energy: -70.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1177.590282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.590282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.590282 (E_RNA) where: Base-Base interactions energy: -595.562 where: short stacking energy: -319.831 Base-Backbone interact. energy: -4.650 local terms energy: -577.377796 where: bonds (distance) C4'-P energy: -158.611 bonds (distance) P-C4' energy: -171.199 flat angles C4'-P-C4' energy: -142.350 flat angles P-C4'-P energy: -90.263 tors. eta vs tors. theta energy: -14.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -906.777497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.777497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.777497 (E_RNA) where: Base-Base interactions energy: -359.046 where: short stacking energy: -222.897 Base-Backbone interact. energy: 4.838 local terms energy: -552.569043 where: bonds (distance) C4'-P energy: -161.489 bonds (distance) P-C4' energy: -159.571 flat angles C4'-P-C4' energy: -162.394 flat angles P-C4'-P energy: -78.524 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: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -759.427440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.427440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.427440 (E_RNA) where: Base-Base interactions energy: -276.798 where: short stacking energy: -186.745 Base-Backbone interact. energy: 3.849 local terms energy: -486.478009 where: bonds (distance) C4'-P energy: -151.892 bonds (distance) P-C4' energy: -167.546 flat angles C4'-P-C4' energy: -129.053 flat angles P-C4'-P energy: -81.784 tors. eta vs tors. theta energy: 43.797 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: 23 Temperature: 1.350000 Total energy: -674.035368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.035368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.035368 (E_RNA) where: Base-Base interactions energy: -229.951 where: short stacking energy: -203.512 Base-Backbone interact. energy: 3.541 local terms energy: -447.625345 where: bonds (distance) C4'-P energy: -146.056 bonds (distance) P-C4' energy: -137.629 flat angles C4'-P-C4' energy: -138.840 flat angles P-C4'-P energy: -57.939 tors. eta vs tors. theta energy: 32.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2227.242926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.242926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.242926 (E_RNA) where: Base-Base interactions energy: -1351.536 where: short stacking energy: -691.530 Base-Backbone interact. energy: -4.534 local terms energy: -871.172925 where: bonds (distance) C4'-P energy: -166.954 bonds (distance) P-C4' energy: -187.479 flat angles C4'-P-C4' energy: -191.711 flat angles P-C4'-P energy: -139.009 tors. eta vs tors. theta energy: -186.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2256.383402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.383402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.383402 (E_RNA) where: Base-Base interactions energy: -1404.890 where: short stacking energy: -674.212 Base-Backbone interact. energy: -0.036 local terms energy: -851.457780 where: bonds (distance) C4'-P energy: -198.701 bonds (distance) P-C4' energy: -175.600 flat angles C4'-P-C4' energy: -180.497 flat angles P-C4'-P energy: -130.213 tors. eta vs tors. theta energy: -166.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1900.309703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.309703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.309703 (E_RNA) where: Base-Base interactions energy: -1153.070 where: short stacking energy: -572.250 Base-Backbone interact. energy: 1.491 local terms energy: -748.730340 where: bonds (distance) C4'-P energy: -160.774 bonds (distance) P-C4' energy: -172.754 flat angles C4'-P-C4' energy: -169.342 flat angles P-C4'-P energy: -108.169 tors. eta vs tors. theta energy: -137.691 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: 24 Temperature: 1.050000 Total energy: -1698.000198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.000198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.000198 (E_RNA) where: Base-Base interactions energy: -958.800 where: short stacking energy: -473.384 Base-Backbone interact. energy: 0.327 local terms energy: -739.526610 where: bonds (distance) C4'-P energy: -158.699 bonds (distance) P-C4' energy: -195.094 flat angles C4'-P-C4' energy: -174.774 flat angles P-C4'-P energy: -105.142 tors. eta vs tors. theta energy: -105.817 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: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1326.743901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.743901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.743901 (E_RNA) where: Base-Base interactions energy: -683.940 where: short stacking energy: -410.439 Base-Backbone interact. energy: -3.518 local terms energy: -639.286213 where: bonds (distance) C4'-P energy: -151.229 bonds (distance) P-C4' energy: -175.937 flat angles C4'-P-C4' energy: -152.321 flat angles P-C4'-P energy: -99.229 tors. eta vs tors. theta energy: -60.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1393.424647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.424647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.424647 (E_RNA) where: Base-Base interactions energy: -766.909 where: short stacking energy: -424.200 Base-Backbone interact. energy: -0.389 local terms energy: -626.126759 where: bonds (distance) C4'-P energy: -134.889 bonds (distance) P-C4' energy: -152.130 flat angles C4'-P-C4' energy: -173.504 flat angles P-C4'-P energy: -93.872 tors. eta vs tors. theta energy: -71.732 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: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1185.156387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.156387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.156387 (E_RNA) where: Base-Base interactions energy: -615.269 where: short stacking energy: -337.094 Base-Backbone interact. energy: -1.516 local terms energy: -568.371167 where: bonds (distance) C4'-P energy: -159.571 bonds (distance) P-C4' energy: -150.246 flat angles C4'-P-C4' energy: -138.090 flat angles P-C4'-P energy: -73.385 tors. eta vs tors. theta energy: -47.078 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: 24 Temperature: 1.250000 Total energy: -871.794029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.794029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.794029 (E_RNA) where: Base-Base interactions energy: -381.627 where: short stacking energy: -248.166 Base-Backbone interact. energy: 0.495 local terms energy: -490.661999 where: bonds (distance) C4'-P energy: -137.560 bonds (distance) P-C4' energy: -135.500 flat angles C4'-P-C4' energy: -141.251 flat angles P-C4'-P energy: -80.215 tors. eta vs tors. theta energy: 3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -724.766993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.766993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.766993 (E_RNA) where: Base-Base interactions energy: -250.406 where: short stacking energy: -185.973 Base-Backbone interact. energy: 8.092 local terms energy: -482.453424 where: bonds (distance) C4'-P energy: -147.246 bonds (distance) P-C4' energy: -153.732 flat angles C4'-P-C4' energy: -131.273 flat angles P-C4'-P energy: -73.861 tors. eta vs tors. theta energy: 23.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -638.960229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.960229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.960229 (E_RNA) where: Base-Base interactions energy: -232.930 where: short stacking energy: -161.230 Base-Backbone interact. energy: 7.012 local terms energy: -413.042038 where: bonds (distance) C4'-P energy: -116.697 bonds (distance) P-C4' energy: -148.742 flat angles C4'-P-C4' energy: -105.770 flat angles P-C4'-P energy: -85.008 tors. eta vs tors. theta energy: 43.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2223.951083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.951083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.951083 (E_RNA) where: Base-Base interactions energy: -1372.173 where: short stacking energy: -713.895 Base-Backbone interact. energy: -4.179 local terms energy: -847.599375 where: bonds (distance) C4'-P energy: -176.589 bonds (distance) P-C4' energy: -169.657 flat angles C4'-P-C4' energy: -192.092 flat angles P-C4'-P energy: -121.624 tors. eta vs tors. theta energy: -187.637 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: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2293.931314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.931314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.931314 (E_RNA) where: Base-Base interactions energy: -1453.576 where: short stacking energy: -676.812 Base-Backbone interact. energy: -1.166 local terms energy: -839.189040 where: bonds (distance) C4'-P energy: -173.688 bonds (distance) P-C4' energy: -170.778 flat angles C4'-P-C4' energy: -185.938 flat angles P-C4'-P energy: -134.417 tors. eta vs tors. theta energy: -174.368 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: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1829.365581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.365581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.365581 (E_RNA) where: Base-Base interactions energy: -1074.809 where: short stacking energy: -545.992 Base-Backbone interact. energy: -2.985 local terms energy: -751.571548 where: bonds (distance) C4'-P energy: -181.730 bonds (distance) P-C4' energy: -187.763 flat angles C4'-P-C4' energy: -179.598 flat angles P-C4'-P energy: -86.846 tors. eta vs tors. theta energy: -115.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1692.996762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.996762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.996762 (E_RNA) where: Base-Base interactions energy: -989.215 where: short stacking energy: -495.882 Base-Backbone interact. energy: -2.180 local terms energy: -701.601504 where: bonds (distance) C4'-P energy: -166.088 bonds (distance) P-C4' energy: -175.428 flat angles C4'-P-C4' energy: -146.325 flat angles P-C4'-P energy: -124.382 tors. eta vs tors. theta energy: -89.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1295.181907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.181907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.181907 (E_RNA) where: Base-Base interactions energy: -646.467 where: short stacking energy: -400.287 Base-Backbone interact. energy: -1.326 local terms energy: -647.389494 where: bonds (distance) C4'-P energy: -141.659 bonds (distance) P-C4' energy: -185.376 flat angles C4'-P-C4' energy: -154.668 flat angles P-C4'-P energy: -81.679 tors. eta vs tors. theta energy: -84.007 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: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1453.615244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.615244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.615244 (E_RNA) where: Base-Base interactions energy: -787.286 where: short stacking energy: -405.774 Base-Backbone interact. energy: -1.588 local terms energy: -664.741951 where: bonds (distance) C4'-P energy: -136.249 bonds (distance) P-C4' energy: -175.013 flat angles C4'-P-C4' energy: -171.105 flat angles P-C4'-P energy: -111.887 tors. eta vs tors. theta energy: -70.487 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: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1144.920095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.920095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.920095 (E_RNA) where: Base-Base interactions energy: -537.518 where: short stacking energy: -288.007 Base-Backbone interact. energy: -2.610 local terms energy: -604.791867 where: bonds (distance) C4'-P energy: -155.222 bonds (distance) P-C4' energy: -159.447 flat angles C4'-P-C4' energy: -148.645 flat angles P-C4'-P energy: -117.171 tors. eta vs tors. theta energy: -24.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -890.865486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.865486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.865486 (E_RNA) where: Base-Base interactions energy: -387.309 where: short stacking energy: -263.389 Base-Backbone interact. energy: -0.047 local terms energy: -503.508904 where: bonds (distance) C4'-P energy: -149.950 bonds (distance) P-C4' energy: -152.793 flat angles C4'-P-C4' energy: -131.807 flat angles P-C4'-P energy: -81.537 tors. eta vs tors. theta energy: 12.578 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: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -711.230993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.230993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.230993 (E_RNA) where: Base-Base interactions energy: -240.901 where: short stacking energy: -157.730 Base-Backbone interact. energy: 2.150 local terms energy: -472.480683 where: bonds (distance) C4'-P energy: -159.065 bonds (distance) P-C4' energy: -139.574 flat angles C4'-P-C4' energy: -116.489 flat angles P-C4'-P energy: -92.969 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: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -752.134673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.134673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.134673 (E_RNA) where: Base-Base interactions energy: -307.426 where: short stacking energy: -174.278 Base-Backbone interact. energy: -4.641 local terms energy: -440.068132 where: bonds (distance) C4'-P energy: -156.200 bonds (distance) P-C4' energy: -132.873 flat angles C4'-P-C4' energy: -123.163 flat angles P-C4'-P energy: -67.956 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: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2211.840964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.840964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.840964 (E_RNA) where: Base-Base interactions energy: -1362.433 where: short stacking energy: -668.932 Base-Backbone interact. energy: -6.420 local terms energy: -842.988038 where: bonds (distance) C4'-P energy: -169.458 bonds (distance) P-C4' energy: -196.097 flat angles C4'-P-C4' energy: -179.018 flat angles P-C4'-P energy: -122.077 tors. eta vs tors. theta energy: -176.337 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: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2325.283173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.283173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.283173 (E_RNA) where: Base-Base interactions energy: -1422.923 where: short stacking energy: -696.944 Base-Backbone interact. energy: -0.790 local terms energy: -901.569716 where: bonds (distance) C4'-P energy: -183.792 bonds (distance) P-C4' energy: -172.409 flat angles C4'-P-C4' energy: -212.988 flat angles P-C4'-P energy: -123.435 tors. eta vs tors. theta energy: -208.946 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: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1807.268761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.268761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.268761 (E_RNA) where: Base-Base interactions energy: -1035.850 where: short stacking energy: -541.991 Base-Backbone interact. energy: 1.557 local terms energy: -772.975196 where: bonds (distance) C4'-P energy: -174.482 bonds (distance) P-C4' energy: -183.338 flat angles C4'-P-C4' energy: -185.658 flat angles P-C4'-P energy: -100.400 tors. eta vs tors. theta energy: -129.098 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: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1707.916004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.916004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.916004 (E_RNA) where: Base-Base interactions energy: -990.658 where: short stacking energy: -511.328 Base-Backbone interact. energy: 4.326 local terms energy: -721.584768 where: bonds (distance) C4'-P energy: -157.792 bonds (distance) P-C4' energy: -168.922 flat angles C4'-P-C4' energy: -158.594 flat angles P-C4'-P energy: -116.649 tors. eta vs tors. theta energy: -119.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1649.396912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.396912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.396912 (E_RNA) where: Base-Base interactions energy: -953.889 where: short stacking energy: -455.983 Base-Backbone interact. energy: 0.108 local terms energy: -695.616306 where: bonds (distance) C4'-P energy: -165.008 bonds (distance) P-C4' energy: -168.438 flat angles C4'-P-C4' energy: -176.693 flat angles P-C4'-P energy: -100.491 tors. eta vs tors. theta energy: -84.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1196.334350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.334350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.334350 (E_RNA) where: Base-Base interactions energy: -614.953 where: short stacking energy: -374.275 Base-Backbone interact. energy: -2.663 local terms energy: -578.718810 where: bonds (distance) C4'-P energy: -158.666 bonds (distance) P-C4' energy: -147.969 flat angles C4'-P-C4' energy: -134.280 flat angles P-C4'-P energy: -92.942 tors. eta vs tors. theta energy: -44.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1084.083293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.083293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.083293 (E_RNA) where: Base-Base interactions energy: -529.120 where: short stacking energy: -308.532 Base-Backbone interact. energy: -3.010 local terms energy: -551.953297 where: bonds (distance) C4'-P energy: -140.662 bonds (distance) P-C4' energy: -155.811 flat angles C4'-P-C4' energy: -135.843 flat angles P-C4'-P energy: -105.232 tors. eta vs tors. theta energy: -14.405 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: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -883.005292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.005292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.005292 (E_RNA) where: Base-Base interactions energy: -392.496 where: short stacking energy: -274.984 Base-Backbone interact. energy: 3.373 local terms energy: -493.882123 where: bonds (distance) C4'-P energy: -148.299 bonds (distance) P-C4' energy: -148.242 flat angles C4'-P-C4' energy: -125.151 flat angles P-C4'-P energy: -77.389 tors. eta vs tors. theta energy: 5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -796.948816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.948816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.948816 (E_RNA) where: Base-Base interactions energy: -330.292 where: short stacking energy: -199.660 Base-Backbone interact. energy: -4.431 local terms energy: -462.225999 where: bonds (distance) C4'-P energy: -134.311 bonds (distance) P-C4' energy: -161.199 flat angles C4'-P-C4' energy: -126.113 flat angles P-C4'-P energy: -61.131 tors. eta vs tors. theta energy: 20.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -711.207992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.207992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.207992 (E_RNA) where: Base-Base interactions energy: -250.678 where: short stacking energy: -200.098 Base-Backbone interact. energy: 6.132 local terms energy: -466.662363 where: bonds (distance) C4'-P energy: -133.233 bonds (distance) P-C4' energy: -166.907 flat angles C4'-P-C4' energy: -133.443 flat angles P-C4'-P energy: -67.900 tors. eta vs tors. theta energy: 34.820 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: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2311.815609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.815609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.815609 (E_RNA) where: Base-Base interactions energy: -1375.612 where: short stacking energy: -726.099 Base-Backbone interact. energy: -3.459 local terms energy: -932.744159 where: bonds (distance) C4'-P energy: -185.098 bonds (distance) P-C4' energy: -198.768 flat angles C4'-P-C4' energy: -211.218 flat angles P-C4'-P energy: -139.979 tors. eta vs tors. theta energy: -197.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2390.926735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.926735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.926735 (E_RNA) where: Base-Base interactions energy: -1496.159 where: short stacking energy: -739.781 Base-Backbone interact. energy: -2.544 local terms energy: -892.223559 where: bonds (distance) C4'-P energy: -170.909 bonds (distance) P-C4' energy: -181.095 flat angles C4'-P-C4' energy: -196.631 flat angles P-C4'-P energy: -140.705 tors. eta vs tors. theta energy: -202.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1908.286644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.286644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.286644 (E_RNA) where: Base-Base interactions energy: -1088.430 where: short stacking energy: -606.691 Base-Backbone interact. energy: -4.045 local terms energy: -815.812021 where: bonds (distance) C4'-P energy: -178.808 bonds (distance) P-C4' energy: -187.900 flat angles C4'-P-C4' energy: -181.884 flat angles P-C4'-P energy: -113.474 tors. eta vs tors. theta energy: -153.746 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: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1752.338726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.338726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.338726 (E_RNA) where: Base-Base interactions energy: -1027.915 where: short stacking energy: -531.772 Base-Backbone interact. energy: 1.881 local terms energy: -726.304967 where: bonds (distance) C4'-P energy: -171.601 bonds (distance) P-C4' energy: -157.571 flat angles C4'-P-C4' energy: -193.557 flat angles P-C4'-P energy: -106.169 tors. eta vs tors. theta energy: -97.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1616.045530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.045530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.045530 (E_RNA) where: Base-Base interactions energy: -938.008 where: short stacking energy: -479.420 Base-Backbone interact. energy: 2.057 local terms energy: -680.094912 where: bonds (distance) C4'-P energy: -169.463 bonds (distance) P-C4' energy: -141.582 flat angles C4'-P-C4' energy: -172.548 flat angles P-C4'-P energy: -103.526 tors. eta vs tors. theta energy: -92.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1194.918944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.918944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.918944 (E_RNA) where: Base-Base interactions energy: -591.751 where: short stacking energy: -356.768 Base-Backbone interact. energy: 4.597 local terms energy: -607.764655 where: bonds (distance) C4'-P energy: -156.406 bonds (distance) P-C4' energy: -155.832 flat angles C4'-P-C4' energy: -159.715 flat angles P-C4'-P energy: -92.772 tors. eta vs tors. theta energy: -43.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1060.673016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.673016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.673016 (E_RNA) where: Base-Base interactions energy: -491.744 where: short stacking energy: -288.786 Base-Backbone interact. energy: -0.068 local terms energy: -568.861795 where: bonds (distance) C4'-P energy: -158.773 bonds (distance) P-C4' energy: -162.153 flat angles C4'-P-C4' energy: -149.965 flat angles P-C4'-P energy: -83.734 tors. eta vs tors. theta energy: -14.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -942.240352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.240352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.240352 (E_RNA) where: Base-Base interactions energy: -440.699 where: short stacking energy: -285.952 Base-Backbone interact. energy: 0.022 local terms energy: -501.563899 where: bonds (distance) C4'-P energy: -150.393 bonds (distance) P-C4' energy: -150.303 flat angles C4'-P-C4' energy: -128.531 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -803.042468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.042468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.042468 (E_RNA) where: Base-Base interactions energy: -318.759 where: short stacking energy: -221.873 Base-Backbone interact. energy: 8.234 local terms energy: -492.516900 where: bonds (distance) C4'-P energy: -138.728 bonds (distance) P-C4' energy: -168.968 flat angles C4'-P-C4' energy: -111.739 flat angles P-C4'-P energy: -91.899 tors. eta vs tors. theta energy: 18.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -688.443990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.443990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.443990 (E_RNA) where: Base-Base interactions energy: -206.222 where: short stacking energy: -154.630 Base-Backbone interact. energy: -0.335 local terms energy: -481.887542 where: bonds (distance) C4'-P energy: -147.314 bonds (distance) P-C4' energy: -148.236 flat angles C4'-P-C4' energy: -131.391 flat angles P-C4'-P energy: -86.199 tors. eta vs tors. theta energy: 31.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2474.640277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.640277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.640277 (E_RNA) where: Base-Base interactions energy: -1531.366 where: short stacking energy: -769.217 Base-Backbone interact. energy: -4.284 local terms energy: -938.990514 where: bonds (distance) C4'-P energy: -189.570 bonds (distance) P-C4' energy: -192.831 flat angles C4'-P-C4' energy: -201.672 flat angles P-C4'-P energy: -134.101 tors. eta vs tors. theta energy: -220.816 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: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2174.989430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.989430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.989430 (E_RNA) where: Base-Base interactions energy: -1294.135 where: short stacking energy: -672.558 Base-Backbone interact. energy: -1.671 local terms energy: -879.183413 where: bonds (distance) C4'-P energy: -194.546 bonds (distance) P-C4' energy: -174.912 flat angles C4'-P-C4' energy: -189.485 flat angles P-C4'-P energy: -125.126 tors. eta vs tors. theta energy: -195.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1929.423061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.423061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.423061 (E_RNA) where: Base-Base interactions energy: -1129.767 where: short stacking energy: -557.243 Base-Backbone interact. energy: -2.181 local terms energy: -797.474729 where: bonds (distance) C4'-P energy: -175.359 bonds (distance) P-C4' energy: -176.159 flat angles C4'-P-C4' energy: -183.484 flat angles P-C4'-P energy: -123.111 tors. eta vs tors. theta energy: -139.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1825.332317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.332317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.332317 (E_RNA) where: Base-Base interactions energy: -1094.674 where: short stacking energy: -538.967 Base-Backbone interact. energy: -2.848 local terms energy: -727.810775 where: bonds (distance) C4'-P energy: -183.027 bonds (distance) P-C4' energy: -147.739 flat angles C4'-P-C4' energy: -181.765 flat angles P-C4'-P energy: -105.344 tors. eta vs tors. theta energy: -109.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1650.420773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.420773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.420773 (E_RNA) where: Base-Base interactions energy: -961.515 where: short stacking energy: -440.873 Base-Backbone interact. energy: 9.867 local terms energy: -698.772931 where: bonds (distance) C4'-P energy: -158.301 bonds (distance) P-C4' energy: -168.229 flat angles C4'-P-C4' energy: -164.305 flat angles P-C4'-P energy: -109.198 tors. eta vs tors. theta energy: -98.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1211.974010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.974010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.974010 (E_RNA) where: Base-Base interactions energy: -630.383 where: short stacking energy: -358.586 Base-Backbone interact. energy: -3.788 local terms energy: -577.802812 where: bonds (distance) C4'-P energy: -166.129 bonds (distance) P-C4' energy: -164.858 flat angles C4'-P-C4' energy: -128.310 flat angles P-C4'-P energy: -81.830 tors. eta vs tors. theta energy: -36.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1067.919127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.919127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.919127 (E_RNA) where: Base-Base interactions energy: -514.403 where: short stacking energy: -309.745 Base-Backbone interact. energy: 4.516 local terms energy: -558.031890 where: bonds (distance) C4'-P energy: -152.963 bonds (distance) P-C4' energy: -177.000 flat angles C4'-P-C4' energy: -123.816 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -24.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -948.671087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.671087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.671087 (E_RNA) where: Base-Base interactions energy: -448.782 where: short stacking energy: -289.766 Base-Backbone interact. energy: 1.600 local terms energy: -501.489284 where: bonds (distance) C4'-P energy: -145.781 bonds (distance) P-C4' energy: -172.904 flat angles C4'-P-C4' energy: -112.879 flat angles P-C4'-P energy: -74.144 tors. eta vs tors. theta energy: 4.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -840.672977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.672977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.672977 (E_RNA) where: Base-Base interactions energy: -347.384 where: short stacking energy: -248.569 Base-Backbone interact. energy: -0.334 local terms energy: -492.955525 where: bonds (distance) C4'-P energy: -142.266 bonds (distance) P-C4' energy: -145.502 flat angles C4'-P-C4' energy: -119.399 flat angles P-C4'-P energy: -83.920 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -688.997132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.997132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.997132 (E_RNA) where: Base-Base interactions energy: -220.469 where: short stacking energy: -133.642 Base-Backbone interact. energy: -3.657 local terms energy: -464.870423 where: bonds (distance) C4'-P energy: -144.704 bonds (distance) P-C4' energy: -154.162 flat angles C4'-P-C4' energy: -117.457 flat angles P-C4'-P energy: -91.277 tors. eta vs tors. theta energy: 42.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2531.812803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.812803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.812803 (E_RNA) where: Base-Base interactions energy: -1575.934 where: short stacking energy: -785.388 Base-Backbone interact. energy: -0.701 local terms energy: -955.177060 where: bonds (distance) C4'-P energy: -189.732 bonds (distance) P-C4' energy: -193.063 flat angles C4'-P-C4' energy: -205.747 flat angles P-C4'-P energy: -136.515 tors. eta vs tors. theta energy: -230.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2128.972570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.972570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.972570 (E_RNA) where: Base-Base interactions energy: -1299.610 where: short stacking energy: -662.972 Base-Backbone interact. energy: -3.860 local terms energy: -825.502279 where: bonds (distance) C4'-P energy: -183.003 bonds (distance) P-C4' energy: -174.965 flat angles C4'-P-C4' energy: -182.734 flat angles P-C4'-P energy: -105.682 tors. eta vs tors. theta energy: -179.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1935.288610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.288610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.288610 (E_RNA) where: Base-Base interactions energy: -1171.416 where: short stacking energy: -534.071 Base-Backbone interact. energy: -1.838 local terms energy: -762.034654 where: bonds (distance) C4'-P energy: -167.662 bonds (distance) P-C4' energy: -171.434 flat angles C4'-P-C4' energy: -181.974 flat angles P-C4'-P energy: -114.823 tors. eta vs tors. theta energy: -126.142 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: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1986.527277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.527277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.527277 (E_RNA) where: Base-Base interactions energy: -1201.756 where: short stacking energy: -608.349 Base-Backbone interact. energy: -2.455 local terms energy: -782.316408 where: bonds (distance) C4'-P energy: -163.646 bonds (distance) P-C4' energy: -168.042 flat angles C4'-P-C4' energy: -183.218 flat angles P-C4'-P energy: -128.359 tors. eta vs tors. theta energy: -139.052 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: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1668.970981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.970981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.970981 (E_RNA) where: Base-Base interactions energy: -985.356 where: short stacking energy: -472.200 Base-Backbone interact. energy: -1.216 local terms energy: -682.399003 where: bonds (distance) C4'-P energy: -163.570 bonds (distance) P-C4' energy: -178.258 flat angles C4'-P-C4' energy: -157.502 flat angles P-C4'-P energy: -91.531 tors. eta vs tors. theta energy: -91.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1201.645904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.645904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.645904 (E_RNA) where: Base-Base interactions energy: -617.837 where: short stacking energy: -389.632 Base-Backbone interact. energy: -4.130 local terms energy: -579.678899 where: bonds (distance) C4'-P energy: -155.614 bonds (distance) P-C4' energy: -156.590 flat angles C4'-P-C4' energy: -137.298 flat angles P-C4'-P energy: -75.356 tors. eta vs tors. theta energy: -54.820 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: 29 Temperature: 1.200000 Total energy: -1009.723090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.723090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.723090 (E_RNA) where: Base-Base interactions energy: -462.296 where: short stacking energy: -268.914 Base-Backbone interact. energy: -0.670 local terms energy: -546.756708 where: bonds (distance) C4'-P energy: -171.230 bonds (distance) P-C4' energy: -163.142 flat angles C4'-P-C4' energy: -131.657 flat angles P-C4'-P energy: -82.310 tors. eta vs tors. theta energy: 1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -968.147977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.147977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.147977 (E_RNA) where: Base-Base interactions energy: -463.122 where: short stacking energy: -273.791 Base-Backbone interact. energy: 4.047 local terms energy: -509.072554 where: bonds (distance) C4'-P energy: -145.179 bonds (distance) P-C4' energy: -174.697 flat angles C4'-P-C4' energy: -115.307 flat angles P-C4'-P energy: -80.055 tors. eta vs tors. theta energy: 6.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -777.963751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.963751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.963751 (E_RNA) where: Base-Base interactions energy: -319.499 where: short stacking energy: -237.869 Base-Backbone interact. energy: -3.328 local terms energy: -455.136981 where: bonds (distance) C4'-P energy: -155.253 bonds (distance) P-C4' energy: -127.099 flat angles C4'-P-C4' energy: -119.405 flat angles P-C4'-P energy: -70.929 tors. eta vs tors. theta energy: 17.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -654.224069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.224069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.224069 (E_RNA) where: Base-Base interactions energy: -225.266 where: short stacking energy: -158.798 Base-Backbone interact. energy: 3.471 local terms energy: -432.429255 where: bonds (distance) C4'-P energy: -153.873 bonds (distance) P-C4' energy: -143.293 flat angles C4'-P-C4' energy: -118.267 flat angles P-C4'-P energy: -61.524 tors. eta vs tors. theta energy: 44.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2514.997763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.997763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.997763 (E_RNA) where: Base-Base interactions energy: -1549.319 where: short stacking energy: -781.035 Base-Backbone interact. energy: 1.208 local terms energy: -966.886940 where: bonds (distance) C4'-P energy: -200.689 bonds (distance) P-C4' energy: -205.700 flat angles C4'-P-C4' energy: -206.634 flat angles P-C4'-P energy: -134.519 tors. eta vs tors. theta energy: -219.344 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: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2192.268606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.268606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.268606 (E_RNA) where: Base-Base interactions energy: -1325.299 where: short stacking energy: -665.807 Base-Backbone interact. energy: -4.572 local terms energy: -862.397425 where: bonds (distance) C4'-P energy: -163.969 bonds (distance) P-C4' energy: -185.011 flat angles C4'-P-C4' energy: -203.365 flat angles P-C4'-P energy: -121.657 tors. eta vs tors. theta energy: -188.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2080.916924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.916924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.916924 (E_RNA) where: Base-Base interactions energy: -1294.161 where: short stacking energy: -626.375 Base-Backbone interact. energy: -3.176 local terms energy: -783.579828 where: bonds (distance) C4'-P energy: -160.398 bonds (distance) P-C4' energy: -174.650 flat angles C4'-P-C4' energy: -192.218 flat angles P-C4'-P energy: -114.859 tors. eta vs tors. theta energy: -141.455 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: 30 Temperature: 1.050000 Total energy: -1860.369399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.369399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.369399 (E_RNA) where: Base-Base interactions energy: -1125.277 where: short stacking energy: -557.182 Base-Backbone interact. energy: -0.332 local terms energy: -734.760822 where: bonds (distance) C4'-P energy: -154.877 bonds (distance) P-C4' energy: -179.436 flat angles C4'-P-C4' energy: -174.601 flat angles P-C4'-P energy: -97.019 tors. eta vs tors. theta energy: -128.827 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: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1574.040722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.040722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.040722 (E_RNA) where: Base-Base interactions energy: -893.672 where: short stacking energy: -453.259 Base-Backbone interact. energy: -1.731 local terms energy: -678.637246 where: bonds (distance) C4'-P energy: -160.171 bonds (distance) P-C4' energy: -176.620 flat angles C4'-P-C4' energy: -163.827 flat angles P-C4'-P energy: -91.667 tors. eta vs tors. theta energy: -86.354 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: 6, replica: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1096.523470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.523470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.523470 (E_RNA) where: Base-Base interactions energy: -499.573 where: short stacking energy: -291.791 Base-Backbone interact. energy: -4.908 local terms energy: -592.042076 where: bonds (distance) C4'-P energy: -167.785 bonds (distance) P-C4' energy: -157.235 flat angles C4'-P-C4' energy: -147.788 flat angles P-C4'-P energy: -101.634 tors. eta vs tors. theta energy: -17.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1079.167653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.167653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.167653 (E_RNA) where: Base-Base interactions energy: -526.147 where: short stacking energy: -277.567 Base-Backbone interact. energy: -2.079 local terms energy: -550.941731 where: bonds (distance) C4'-P energy: -137.883 bonds (distance) P-C4' energy: -160.660 flat angles C4'-P-C4' energy: -142.310 flat angles P-C4'-P energy: -87.498 tors. eta vs tors. theta energy: -22.591 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: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1019.871665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.871665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.871665 (E_RNA) where: Base-Base interactions energy: -501.486 where: short stacking energy: -299.827 Base-Backbone interact. energy: 9.558 local terms energy: -527.943428 where: bonds (distance) C4'-P energy: -161.712 bonds (distance) P-C4' energy: -139.901 flat angles C4'-P-C4' energy: -145.765 flat angles P-C4'-P energy: -84.829 tors. eta vs tors. theta energy: 4.263 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: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -814.357379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.357379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.357379 (E_RNA) where: Base-Base interactions energy: -323.916 where: short stacking energy: -219.325 Base-Backbone interact. energy: 14.348 local terms energy: -504.789911 where: bonds (distance) C4'-P energy: -141.291 bonds (distance) P-C4' energy: -155.807 flat angles C4'-P-C4' energy: -136.495 flat angles P-C4'-P energy: -79.155 tors. eta vs tors. theta energy: 7.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -634.685369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.685369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.685369 (E_RNA) where: Base-Base interactions energy: -188.136 where: short stacking energy: -151.660 Base-Backbone interact. energy: 4.225 local terms energy: -450.774696 where: bonds (distance) C4'-P energy: -143.894 bonds (distance) P-C4' energy: -138.316 flat angles C4'-P-C4' energy: -136.670 flat angles P-C4'-P energy: -65.585 tors. eta vs tors. theta energy: 33.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2518.387436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.387436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.387436 (E_RNA) where: Base-Base interactions energy: -1600.229 where: short stacking energy: -774.449 Base-Backbone interact. energy: 0.605 local terms energy: -918.763038 where: bonds (distance) C4'-P energy: -166.036 bonds (distance) P-C4' energy: -188.861 flat angles C4'-P-C4' energy: -212.950 flat angles P-C4'-P energy: -134.301 tors. eta vs tors. theta energy: -216.615 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: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2203.197202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.197202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.197202 (E_RNA) where: Base-Base interactions energy: -1354.781 where: short stacking energy: -646.350 Base-Backbone interact. energy: -3.925 local terms energy: -844.491538 where: bonds (distance) C4'-P energy: -187.745 bonds (distance) P-C4' energy: -181.832 flat angles C4'-P-C4' energy: -187.493 flat angles P-C4'-P energy: -109.438 tors. eta vs tors. theta energy: -177.984 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: 3, replica: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2110.046883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.046883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.046883 (E_RNA) where: Base-Base interactions energy: -1274.496 where: short stacking energy: -634.384 Base-Backbone interact. energy: -2.925 local terms energy: -832.625773 where: bonds (distance) C4'-P energy: -165.241 bonds (distance) P-C4' energy: -191.712 flat angles C4'-P-C4' energy: -186.663 flat angles P-C4'-P energy: -114.004 tors. eta vs tors. theta energy: -175.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1818.049276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.049276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.049276 (E_RNA) where: Base-Base interactions energy: -1109.286 where: short stacking energy: -519.057 Base-Backbone interact. energy: 1.985 local terms energy: -710.747949 where: bonds (distance) C4'-P energy: -163.944 bonds (distance) P-C4' energy: -168.538 flat angles C4'-P-C4' energy: -170.334 flat angles P-C4'-P energy: -96.510 tors. eta vs tors. theta energy: -111.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1639.144546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.144546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.144546 (E_RNA) where: Base-Base interactions energy: -928.660 where: short stacking energy: -441.007 Base-Backbone interact. energy: 0.292 local terms energy: -710.776469 where: bonds (distance) C4'-P energy: -164.282 bonds (distance) P-C4' energy: -180.017 flat angles C4'-P-C4' energy: -173.854 flat angles P-C4'-P energy: -106.358 tors. eta vs tors. theta energy: -86.266 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: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1046.174888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.174888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.174888 (E_RNA) where: Base-Base interactions energy: -449.154 where: short stacking energy: -317.030 Base-Backbone interact. energy: 0.016 local terms energy: -597.036382 where: bonds (distance) C4'-P energy: -174.992 bonds (distance) P-C4' energy: -153.416 flat angles C4'-P-C4' energy: -149.796 flat angles P-C4'-P energy: -93.721 tors. eta vs tors. theta energy: -25.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1075.978328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.978328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.978328 (E_RNA) where: Base-Base interactions energy: -492.340 where: short stacking energy: -277.906 Base-Backbone interact. energy: 3.079 local terms energy: -586.717445 where: bonds (distance) C4'-P energy: -163.238 bonds (distance) P-C4' energy: -171.077 flat angles C4'-P-C4' energy: -141.990 flat angles P-C4'-P energy: -108.078 tors. eta vs tors. theta energy: -2.334 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: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1012.501492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.501492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.501492 (E_RNA) where: Base-Base interactions energy: -475.373 where: short stacking energy: -265.685 Base-Backbone interact. energy: 6.716 local terms energy: -543.844791 where: bonds (distance) C4'-P energy: -160.585 bonds (distance) P-C4' energy: -166.496 flat angles C4'-P-C4' energy: -130.534 flat angles P-C4'-P energy: -86.494 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -782.240660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.240660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.240660 (E_RNA) where: Base-Base interactions energy: -281.903 where: short stacking energy: -188.046 Base-Backbone interact. energy: -2.169 local terms energy: -498.168711 where: bonds (distance) C4'-P energy: -148.015 bonds (distance) P-C4' energy: -164.579 flat angles C4'-P-C4' energy: -135.304 flat angles P-C4'-P energy: -77.274 tors. eta vs tors. theta energy: 27.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -685.359978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.359978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.359978 (E_RNA) where: Base-Base interactions energy: -256.604 where: short stacking energy: -176.836 Base-Backbone interact. energy: 9.421 local terms energy: -438.176466 where: bonds (distance) C4'-P energy: -145.505 bonds (distance) P-C4' energy: -154.938 flat angles C4'-P-C4' energy: -120.063 flat angles P-C4'-P energy: -48.336 tors. eta vs tors. theta energy: 30.665 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: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2516.012934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.012934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.012934 (E_RNA) where: Base-Base interactions energy: -1591.587 where: short stacking energy: -776.953 Base-Backbone interact. energy: -3.789 local terms energy: -920.637424 where: bonds (distance) C4'-P energy: -174.197 bonds (distance) P-C4' energy: -195.560 flat angles C4'-P-C4' energy: -206.006 flat angles P-C4'-P energy: -125.446 tors. eta vs tors. theta energy: -219.429 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: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2200.392799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.392799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.392799 (E_RNA) where: Base-Base interactions energy: -1333.690 where: short stacking energy: -686.931 Base-Backbone interact. energy: -5.183 local terms energy: -861.519953 where: bonds (distance) C4'-P energy: -169.207 bonds (distance) P-C4' energy: -193.102 flat angles C4'-P-C4' energy: -177.043 flat angles P-C4'-P energy: -114.898 tors. eta vs tors. theta energy: -207.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2041.430855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.430855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.430855 (E_RNA) where: Base-Base interactions energy: -1234.572 where: short stacking energy: -610.905 Base-Backbone interact. energy: -4.462 local terms energy: -802.396659 where: bonds (distance) C4'-P energy: -162.017 bonds (distance) P-C4' energy: -181.669 flat angles C4'-P-C4' energy: -178.168 flat angles P-C4'-P energy: -126.976 tors. eta vs tors. theta energy: -153.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1850.493374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.493374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.493374 (E_RNA) where: Base-Base interactions energy: -1093.202 where: short stacking energy: -566.771 Base-Backbone interact. energy: -3.643 local terms energy: -753.648165 where: bonds (distance) C4'-P energy: -149.484 bonds (distance) P-C4' energy: -172.384 flat angles C4'-P-C4' energy: -183.712 flat angles P-C4'-P energy: -104.789 tors. eta vs tors. theta energy: -143.280 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: 32 Temperature: 1.100000 Total energy: -1702.123221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.123221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.123221 (E_RNA) where: Base-Base interactions energy: -994.023 where: short stacking energy: -465.429 Base-Backbone interact. energy: -4.471 local terms energy: -703.629155 where: bonds (distance) C4'-P energy: -144.947 bonds (distance) P-C4' energy: -179.095 flat angles C4'-P-C4' energy: -183.183 flat angles P-C4'-P energy: -104.855 tors. eta vs tors. theta energy: -91.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1156.612371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.612371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.612371 (E_RNA) where: Base-Base interactions energy: -518.473 where: short stacking energy: -346.949 Base-Backbone interact. energy: -2.734 local terms energy: -635.405027 where: bonds (distance) C4'-P energy: -176.089 bonds (distance) P-C4' energy: -175.232 flat angles C4'-P-C4' energy: -159.155 flat angles P-C4'-P energy: -82.665 tors. eta vs tors. theta energy: -42.264 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: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1157.116720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.116720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.116720 (E_RNA) where: Base-Base interactions energy: -605.248 where: short stacking energy: -333.965 Base-Backbone interact. energy: 4.137 local terms energy: -556.005219 where: bonds (distance) C4'-P energy: -149.128 bonds (distance) P-C4' energy: -133.230 flat angles C4'-P-C4' energy: -153.003 flat angles P-C4'-P energy: -88.435 tors. eta vs tors. theta energy: -32.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -992.541526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.541526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.541526 (E_RNA) where: Base-Base interactions energy: -451.195 where: short stacking energy: -264.670 Base-Backbone interact. energy: 1.297 local terms energy: -542.643284 where: bonds (distance) C4'-P energy: -160.957 bonds (distance) P-C4' energy: -166.592 flat angles C4'-P-C4' energy: -146.185 flat angles P-C4'-P energy: -88.134 tors. eta vs tors. theta energy: 19.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -928.822420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.822420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.822420 (E_RNA) where: Base-Base interactions energy: -409.684 where: short stacking energy: -268.340 Base-Backbone interact. energy: -0.194 local terms energy: -518.944288 where: bonds (distance) C4'-P energy: -135.883 bonds (distance) P-C4' energy: -161.531 flat angles C4'-P-C4' energy: -124.557 flat angles P-C4'-P energy: -86.532 tors. eta vs tors. theta energy: -10.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -632.532511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.532511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.532511 (E_RNA) where: Base-Base interactions energy: -212.040 where: short stacking energy: -163.799 Base-Backbone interact. energy: -3.575 local terms energy: -416.917196 where: bonds (distance) C4'-P energy: -137.310 bonds (distance) P-C4' energy: -160.016 flat angles C4'-P-C4' energy: -107.191 flat angles P-C4'-P energy: -73.619 tors. eta vs tors. theta energy: 61.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2536.161896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.161896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.161896 (E_RNA) where: Base-Base interactions energy: -1625.406 where: short stacking energy: -795.698 Base-Backbone interact. energy: -2.542 local terms energy: -908.214202 where: bonds (distance) C4'-P energy: -185.183 bonds (distance) P-C4' energy: -191.116 flat angles C4'-P-C4' energy: -206.828 flat angles P-C4'-P energy: -101.600 tors. eta vs tors. theta energy: -223.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2268.657872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.657872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.657872 (E_RNA) where: Base-Base interactions energy: -1400.963 where: short stacking energy: -677.932 Base-Backbone interact. energy: -3.190 local terms energy: -864.505037 where: bonds (distance) C4'-P energy: -187.071 bonds (distance) P-C4' energy: -190.312 flat angles C4'-P-C4' energy: -184.881 flat angles P-C4'-P energy: -121.410 tors. eta vs tors. theta energy: -180.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2083.207808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.207808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.207808 (E_RNA) where: Base-Base interactions energy: -1288.643 where: short stacking energy: -618.226 Base-Backbone interact. energy: -0.608 local terms energy: -793.956959 where: bonds (distance) C4'-P energy: -161.354 bonds (distance) P-C4' energy: -193.618 flat angles C4'-P-C4' energy: -176.308 flat angles P-C4'-P energy: -121.093 tors. eta vs tors. theta energy: -141.583 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: 33 Temperature: 1.050000 Total energy: -1892.108883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.108883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.108883 (E_RNA) where: Base-Base interactions energy: -1102.285 where: short stacking energy: -556.583 Base-Backbone interact. energy: -3.378 local terms energy: -786.445867 where: bonds (distance) C4'-P energy: -170.582 bonds (distance) P-C4' energy: -172.675 flat angles C4'-P-C4' energy: -179.715 flat angles P-C4'-P energy: -114.618 tors. eta vs tors. theta energy: -148.856 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: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1776.112348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.112348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.112348 (E_RNA) where: Base-Base interactions energy: -1049.932 where: short stacking energy: -484.115 Base-Backbone interact. energy: -2.121 local terms energy: -724.059393 where: bonds (distance) C4'-P energy: -168.208 bonds (distance) P-C4' energy: -172.751 flat angles C4'-P-C4' energy: -179.172 flat angles P-C4'-P energy: -112.014 tors. eta vs tors. theta energy: -91.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1359.630307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.630307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.630307 (E_RNA) where: Base-Base interactions energy: -742.114 where: short stacking energy: -407.463 Base-Backbone interact. energy: 1.764 local terms energy: -619.280414 where: bonds (distance) C4'-P energy: -144.572 bonds (distance) P-C4' energy: -159.569 flat angles C4'-P-C4' energy: -155.564 flat angles P-C4'-P energy: -101.080 tors. eta vs tors. theta energy: -58.495 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: 1 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1003.221666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.221666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.221666 (E_RNA) where: Base-Base interactions energy: -487.706 where: short stacking energy: -294.434 Base-Backbone interact. energy: 0.764 local terms energy: -516.279919 where: bonds (distance) C4'-P energy: -144.399 bonds (distance) P-C4' energy: -161.154 flat angles C4'-P-C4' energy: -145.498 flat angles P-C4'-P energy: -64.820 tors. eta vs tors. theta energy: -0.409 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: 8, replica: 7 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -984.488849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.488849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.488849 (E_RNA) where: Base-Base interactions energy: -429.861 where: short stacking energy: -281.646 Base-Backbone interact. energy: -2.535 local terms energy: -552.092775 where: bonds (distance) C4'-P energy: -151.952 bonds (distance) P-C4' energy: -160.545 flat angles C4'-P-C4' energy: -135.599 flat angles P-C4'-P energy: -81.792 tors. eta vs tors. theta energy: -22.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -875.166536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.166536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.166536 (E_RNA) where: Base-Base interactions energy: -389.721 where: short stacking energy: -223.802 Base-Backbone interact. energy: 2.526 local terms energy: -487.971281 where: bonds (distance) C4'-P energy: -142.088 bonds (distance) P-C4' energy: -153.535 flat angles C4'-P-C4' energy: -144.496 flat angles P-C4'-P energy: -78.231 tors. eta vs tors. theta energy: 30.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -679.242138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.242138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.242138 (E_RNA) where: Base-Base interactions energy: -213.811 where: short stacking energy: -152.749 Base-Backbone interact. energy: -2.858 local terms energy: -462.572537 where: bonds (distance) C4'-P energy: -139.437 bonds (distance) P-C4' energy: -157.040 flat angles C4'-P-C4' energy: -151.657 flat angles P-C4'-P energy: -70.386 tors. eta vs tors. theta energy: 55.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2547.934627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.934627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.934627 (E_RNA) where: Base-Base interactions energy: -1649.342 where: short stacking energy: -763.884 Base-Backbone interact. energy: -4.642 local terms energy: -893.950734 where: bonds (distance) C4'-P energy: -184.029 bonds (distance) P-C4' energy: -161.173 flat angles C4'-P-C4' energy: -202.915 flat angles P-C4'-P energy: -134.026 tors. eta vs tors. theta energy: -211.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2255.250081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.250081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.250081 (E_RNA) where: Base-Base interactions energy: -1401.749 where: short stacking energy: -689.017 Base-Backbone interact. energy: -2.913 local terms energy: -850.587426 where: bonds (distance) C4'-P energy: -173.487 bonds (distance) P-C4' energy: -168.405 flat angles C4'-P-C4' energy: -192.507 flat angles P-C4'-P energy: -140.549 tors. eta vs tors. theta energy: -175.639 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: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2143.540887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.540887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.540887 (E_RNA) where: Base-Base interactions energy: -1337.623 where: short stacking energy: -629.041 Base-Backbone interact. energy: -0.526 local terms energy: -805.391471 where: bonds (distance) C4'-P energy: -151.988 bonds (distance) P-C4' energy: -179.649 flat angles C4'-P-C4' energy: -184.508 flat angles P-C4'-P energy: -127.258 tors. eta vs tors. theta energy: -161.989 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: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1875.212393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.212393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.212393 (E_RNA) where: Base-Base interactions energy: -1127.699 where: short stacking energy: -567.101 Base-Backbone interact. energy: -2.539 local terms energy: -744.974696 where: bonds (distance) C4'-P energy: -158.049 bonds (distance) P-C4' energy: -151.406 flat angles C4'-P-C4' energy: -184.372 flat angles P-C4'-P energy: -114.360 tors. eta vs tors. theta energy: -136.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1761.727540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.727540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.727540 (E_RNA) where: Base-Base interactions energy: -1092.629 where: short stacking energy: -537.427 Base-Backbone interact. energy: -4.408 local terms energy: -664.690431 where: bonds (distance) C4'-P energy: -157.329 bonds (distance) P-C4' energy: -154.928 flat angles C4'-P-C4' energy: -167.598 flat angles P-C4'-P energy: -88.921 tors. eta vs tors. theta energy: -95.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1326.260206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.260206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.260206 (E_RNA) where: Base-Base interactions energy: -698.428 where: short stacking energy: -396.650 Base-Backbone interact. energy: -3.024 local terms energy: -624.807684 where: bonds (distance) C4'-P energy: -159.165 bonds (distance) P-C4' energy: -151.890 flat angles C4'-P-C4' energy: -152.264 flat angles P-C4'-P energy: -96.171 tors. eta vs tors. theta energy: -65.319 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: 7, replica: 1 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1016.544517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.544517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.544517 (E_RNA) where: Base-Base interactions energy: -470.423 where: short stacking energy: -302.403 Base-Backbone interact. energy: 6.102 local terms energy: -552.223226 where: bonds (distance) C4'-P energy: -166.334 bonds (distance) P-C4' energy: -154.476 flat angles C4'-P-C4' energy: -136.983 flat angles P-C4'-P energy: -82.229 tors. eta vs tors. theta energy: -12.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -964.327057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.327057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.327057 (E_RNA) where: Base-Base interactions energy: -448.872 where: short stacking energy: -260.195 Base-Backbone interact. energy: 1.652 local terms energy: -517.106421 where: bonds (distance) C4'-P energy: -146.855 bonds (distance) P-C4' energy: -159.218 flat angles C4'-P-C4' energy: -133.567 flat angles P-C4'-P energy: -85.893 tors. eta vs tors. theta energy: 8.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -889.120161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.120161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.120161 (E_RNA) where: Base-Base interactions energy: -382.537 where: short stacking energy: -234.114 Base-Backbone interact. energy: 4.629 local terms energy: -511.211776 where: bonds (distance) C4'-P energy: -140.642 bonds (distance) P-C4' energy: -164.424 flat angles C4'-P-C4' energy: -124.089 flat angles P-C4'-P energy: -85.275 tors. eta vs tors. theta energy: 3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -643.239231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.239231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.239231 (E_RNA) where: Base-Base interactions energy: -220.566 where: short stacking energy: -190.424 Base-Backbone interact. energy: 1.846 local terms energy: -424.519726 where: bonds (distance) C4'-P energy: -120.254 bonds (distance) P-C4' energy: -154.342 flat angles C4'-P-C4' energy: -126.627 flat angles P-C4'-P energy: -60.058 tors. eta vs tors. theta energy: 36.761 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: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2553.260255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.260255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.260255 (E_RNA) where: Base-Base interactions energy: -1616.770 where: short stacking energy: -767.956 Base-Backbone interact. energy: -0.019 local terms energy: -936.470483 where: bonds (distance) C4'-P energy: -184.144 bonds (distance) P-C4' energy: -185.980 flat angles C4'-P-C4' energy: -206.404 flat angles P-C4'-P energy: -144.905 tors. eta vs tors. theta energy: -215.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2226.549661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.549661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.549661 (E_RNA) where: Base-Base interactions energy: -1389.682 where: short stacking energy: -657.385 Base-Backbone interact. energy: 1.358 local terms energy: -838.226072 where: bonds (distance) C4'-P energy: -172.912 bonds (distance) P-C4' energy: -180.924 flat angles C4'-P-C4' energy: -199.245 flat angles P-C4'-P energy: -101.046 tors. eta vs tors. theta energy: -184.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2090.095498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.095498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.095498 (E_RNA) where: Base-Base interactions energy: -1286.616 where: short stacking energy: -611.204 Base-Backbone interact. energy: -0.421 local terms energy: -803.059002 where: bonds (distance) C4'-P energy: -161.806 bonds (distance) P-C4' energy: -184.553 flat angles C4'-P-C4' energy: -184.927 flat angles P-C4'-P energy: -125.248 tors. eta vs tors. theta energy: -146.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1817.893632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.893632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.893632 (E_RNA) where: Base-Base interactions energy: -1071.864 where: short stacking energy: -526.173 Base-Backbone interact. energy: -5.884 local terms energy: -740.144992 where: bonds (distance) C4'-P energy: -160.518 bonds (distance) P-C4' energy: -178.532 flat angles C4'-P-C4' energy: -167.583 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -120.969 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: 35 Temperature: 1.100000 Total energy: -1785.312968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.312968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.312968 (E_RNA) where: Base-Base interactions energy: -1055.223 where: short stacking energy: -495.961 Base-Backbone interact. energy: 4.953 local terms energy: -735.043122 where: bonds (distance) C4'-P energy: -167.229 bonds (distance) P-C4' energy: -169.160 flat angles C4'-P-C4' energy: -163.408 flat angles P-C4'-P energy: -112.258 tors. eta vs tors. theta energy: -122.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1358.451893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.451893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.451893 (E_RNA) where: Base-Base interactions energy: -702.338 where: short stacking energy: -393.769 Base-Backbone interact. energy: -4.026 local terms energy: -652.088246 where: bonds (distance) C4'-P energy: -139.652 bonds (distance) P-C4' energy: -175.984 flat angles C4'-P-C4' energy: -172.242 flat angles P-C4'-P energy: -93.939 tors. eta vs tors. theta energy: -70.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1042.912451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.912451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.912451 (E_RNA) where: Base-Base interactions energy: -496.813 where: short stacking energy: -293.104 Base-Backbone interact. energy: -2.225 local terms energy: -543.875007 where: bonds (distance) C4'-P energy: -159.800 bonds (distance) P-C4' energy: -163.478 flat angles C4'-P-C4' energy: -143.574 flat angles P-C4'-P energy: -66.685 tors. eta vs tors. theta energy: -10.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1053.593466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.593466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.593466 (E_RNA) where: Base-Base interactions energy: -502.191 where: short stacking energy: -250.426 Base-Backbone interact. energy: -0.600 local terms energy: -550.803045 where: bonds (distance) C4'-P energy: -161.260 bonds (distance) P-C4' energy: -175.800 flat angles C4'-P-C4' energy: -140.282 flat angles P-C4'-P energy: -84.091 tors. eta vs tors. theta energy: 10.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -899.504802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.504802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.504802 (E_RNA) where: Base-Base interactions energy: -381.865 where: short stacking energy: -232.106 Base-Backbone interact. energy: 10.629 local terms energy: -528.268305 where: bonds (distance) C4'-P energy: -138.746 bonds (distance) P-C4' energy: -166.808 flat angles C4'-P-C4' energy: -146.269 flat angles P-C4'-P energy: -85.609 tors. eta vs tors. theta energy: 9.163 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: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -642.569154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.569154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.569154 (E_RNA) where: Base-Base interactions energy: -254.540 where: short stacking energy: -160.774 Base-Backbone interact. energy: 8.412 local terms energy: -396.441629 where: bonds (distance) C4'-P energy: -136.257 bonds (distance) P-C4' energy: -155.635 flat angles C4'-P-C4' energy: -102.419 flat angles P-C4'-P energy: -59.076 tors. eta vs tors. theta energy: 56.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2570.648930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.648930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.648930 (E_RNA) where: Base-Base interactions energy: -1648.337 where: short stacking energy: -784.588 Base-Backbone interact. energy: -1.228 local terms energy: -921.083368 where: bonds (distance) C4'-P energy: -177.087 bonds (distance) P-C4' energy: -186.531 flat angles C4'-P-C4' energy: -205.226 flat angles P-C4'-P energy: -136.878 tors. eta vs tors. theta energy: -215.360 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: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2222.933472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.933472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.933472 (E_RNA) where: Base-Base interactions energy: -1398.278 where: short stacking energy: -644.206 Base-Backbone interact. energy: -0.457 local terms energy: -824.198430 where: bonds (distance) C4'-P energy: -168.139 bonds (distance) P-C4' energy: -185.499 flat angles C4'-P-C4' energy: -189.244 flat angles P-C4'-P energy: -118.872 tors. eta vs tors. theta energy: -162.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2172.370864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.370864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.370864 (E_RNA) where: Base-Base interactions energy: -1347.711 where: short stacking energy: -640.127 Base-Backbone interact. energy: -4.528 local terms energy: -820.131724 where: bonds (distance) C4'-P energy: -167.073 bonds (distance) P-C4' energy: -176.384 flat angles C4'-P-C4' energy: -193.191 flat angles P-C4'-P energy: -123.856 tors. eta vs tors. theta energy: -159.628 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: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1800.213445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.213445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.213445 (E_RNA) where: Base-Base interactions energy: -1068.162 where: short stacking energy: -567.817 Base-Backbone interact. energy: 1.723 local terms energy: -733.775260 where: bonds (distance) C4'-P energy: -147.512 bonds (distance) P-C4' energy: -163.177 flat angles C4'-P-C4' energy: -171.233 flat angles P-C4'-P energy: -98.741 tors. eta vs tors. theta energy: -153.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1866.646499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.646499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.646499 (E_RNA) where: Base-Base interactions energy: -1129.118 where: short stacking energy: -547.578 Base-Backbone interact. energy: 4.989 local terms energy: -742.517013 where: bonds (distance) C4'-P energy: -162.804 bonds (distance) P-C4' energy: -170.422 flat angles C4'-P-C4' energy: -181.193 flat angles P-C4'-P energy: -96.390 tors. eta vs tors. theta energy: -131.708 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: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1531.325870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.325870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.325870 (E_RNA) where: Base-Base interactions energy: -874.016 where: short stacking energy: -469.718 Base-Backbone interact. energy: -2.425 local terms energy: -654.884535 where: bonds (distance) C4'-P energy: -143.010 bonds (distance) P-C4' energy: -176.343 flat angles C4'-P-C4' energy: -162.975 flat angles P-C4'-P energy: -86.221 tors. eta vs tors. theta energy: -86.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1209.351953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.351953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.351953 (E_RNA) where: Base-Base interactions energy: -648.112 where: short stacking energy: -367.522 Base-Backbone interact. energy: 5.280 local terms energy: -566.520051 where: bonds (distance) C4'-P energy: -155.079 bonds (distance) P-C4' energy: -140.776 flat angles C4'-P-C4' energy: -138.387 flat angles P-C4'-P energy: -81.245 tors. eta vs tors. theta energy: -51.033 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: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -902.225527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.225527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.225527 (E_RNA) where: Base-Base interactions energy: -392.713 where: short stacking energy: -250.135 Base-Backbone interact. energy: 1.482 local terms energy: -510.994552 where: bonds (distance) C4'-P energy: -147.943 bonds (distance) P-C4' energy: -169.202 flat angles C4'-P-C4' energy: -137.831 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: 15.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -871.768895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.768895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.768895 (E_RNA) where: Base-Base interactions energy: -420.683 where: short stacking energy: -252.699 Base-Backbone interact. energy: 5.074 local terms energy: -456.159829 where: bonds (distance) C4'-P energy: -119.794 bonds (distance) P-C4' energy: -162.891 flat angles C4'-P-C4' energy: -112.303 flat angles P-C4'-P energy: -74.722 tors. eta vs tors. theta energy: 13.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -666.511347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.511347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.511347 (E_RNA) where: Base-Base interactions energy: -253.494 where: short stacking energy: -185.574 Base-Backbone interact. energy: -0.682 local terms energy: -412.335192 where: bonds (distance) C4'-P energy: -154.826 bonds (distance) P-C4' energy: -117.413 flat angles C4'-P-C4' energy: -120.155 flat angles P-C4'-P energy: -48.326 tors. eta vs tors. theta energy: 28.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2614.280268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.280268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.280268 (E_RNA) where: Base-Base interactions energy: -1665.342 where: short stacking energy: -810.864 Base-Backbone interact. energy: -2.610 local terms energy: -946.328890 where: bonds (distance) C4'-P energy: -181.415 bonds (distance) P-C4' energy: -189.648 flat angles C4'-P-C4' energy: -208.718 flat angles P-C4'-P energy: -136.508 tors. eta vs tors. theta energy: -230.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2251.011320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.011320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.011320 (E_RNA) where: Base-Base interactions energy: -1426.074 where: short stacking energy: -675.204 Base-Backbone interact. energy: -3.145 local terms energy: -821.791942 where: bonds (distance) C4'-P energy: -175.743 bonds (distance) P-C4' energy: -162.201 flat angles C4'-P-C4' energy: -183.244 flat angles P-C4'-P energy: -123.265 tors. eta vs tors. theta energy: -177.339 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: 9 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2166.031839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.031839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.031839 (E_RNA) where: Base-Base interactions energy: -1376.093 where: short stacking energy: -616.922 Base-Backbone interact. energy: -5.876 local terms energy: -784.062929 where: bonds (distance) C4'-P energy: -180.688 bonds (distance) P-C4' energy: -165.882 flat angles C4'-P-C4' energy: -183.802 flat angles P-C4'-P energy: -97.636 tors. eta vs tors. theta energy: -156.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1926.345954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.345954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.345954 (E_RNA) where: Base-Base interactions energy: -1188.451 where: short stacking energy: -567.673 Base-Backbone interact. energy: -0.134 local terms energy: -737.760808 where: bonds (distance) C4'-P energy: -179.170 bonds (distance) P-C4' energy: -167.550 flat angles C4'-P-C4' energy: -148.067 flat angles P-C4'-P energy: -104.539 tors. eta vs tors. theta energy: -138.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1714.757630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.757630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.757630 (E_RNA) where: Base-Base interactions energy: -979.372 where: short stacking energy: -523.942 Base-Backbone interact. energy: -2.616 local terms energy: -732.769731 where: bonds (distance) C4'-P energy: -163.868 bonds (distance) P-C4' energy: -175.500 flat angles C4'-P-C4' energy: -162.425 flat angles P-C4'-P energy: -111.573 tors. eta vs tors. theta energy: -119.404 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: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1383.529494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.529494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.529494 (E_RNA) where: Base-Base interactions energy: -790.936 where: short stacking energy: -399.510 Base-Backbone interact. energy: -2.834 local terms energy: -589.759497 where: bonds (distance) C4'-P energy: -137.289 bonds (distance) P-C4' energy: -168.821 flat angles C4'-P-C4' energy: -145.536 flat angles P-C4'-P energy: -81.710 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: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1325.431357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.431357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.431357 (E_RNA) where: Base-Base interactions energy: -735.597 where: short stacking energy: -393.112 Base-Backbone interact. energy: 9.868 local terms energy: -599.702474 where: bonds (distance) C4'-P energy: -151.571 bonds (distance) P-C4' energy: -180.631 flat angles C4'-P-C4' energy: -148.953 flat angles P-C4'-P energy: -85.290 tors. eta vs tors. theta energy: -33.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -914.888667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.888667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.888667 (E_RNA) where: Base-Base interactions energy: -417.783 where: short stacking energy: -274.980 Base-Backbone interact. energy: 4.644 local terms energy: -501.750160 where: bonds (distance) C4'-P energy: -142.721 bonds (distance) P-C4' energy: -149.501 flat angles C4'-P-C4' energy: -134.106 flat angles P-C4'-P energy: -70.629 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -796.544152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.544152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.544152 (E_RNA) where: Base-Base interactions energy: -311.391 where: short stacking energy: -210.878 Base-Backbone interact. energy: 6.421 local terms energy: -491.574227 where: bonds (distance) C4'-P energy: -149.771 bonds (distance) P-C4' energy: -168.379 flat angles C4'-P-C4' energy: -125.340 flat angles P-C4'-P energy: -66.058 tors. eta vs tors. theta energy: 17.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -658.079130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.079130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.079130 (E_RNA) where: Base-Base interactions energy: -199.081 where: short stacking energy: -177.640 Base-Backbone interact. energy: 4.376 local terms energy: -463.374809 where: bonds (distance) C4'-P energy: -159.757 bonds (distance) P-C4' energy: -144.625 flat angles C4'-P-C4' energy: -117.625 flat angles P-C4'-P energy: -73.311 tors. eta vs tors. theta energy: 31.942 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: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2610.181054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.181054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.181054 (E_RNA) where: Base-Base interactions energy: -1679.869 where: short stacking energy: -813.000 Base-Backbone interact. energy: -7.168 local terms energy: -923.144094 where: bonds (distance) C4'-P energy: -196.838 bonds (distance) P-C4' energy: -155.211 flat angles C4'-P-C4' energy: -203.745 flat angles P-C4'-P energy: -119.532 tors. eta vs tors. theta energy: -247.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2235.023002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.023002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.023002 (E_RNA) where: Base-Base interactions energy: -1419.925 where: short stacking energy: -601.837 Base-Backbone interact. energy: -10.028 local terms energy: -805.070807 where: bonds (distance) C4'-P energy: -158.910 bonds (distance) P-C4' energy: -160.265 flat angles C4'-P-C4' energy: -197.656 flat angles P-C4'-P energy: -117.835 tors. eta vs tors. theta energy: -170.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2267.554507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.554507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.554507 (E_RNA) where: Base-Base interactions energy: -1440.453 where: short stacking energy: -658.327 Base-Backbone interact. energy: -5.020 local terms energy: -822.081311 where: bonds (distance) C4'-P energy: -176.861 bonds (distance) P-C4' energy: -183.192 flat angles C4'-P-C4' energy: -170.526 flat angles P-C4'-P energy: -112.563 tors. eta vs tors. theta energy: -178.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1975.816239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.816239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.816239 (E_RNA) where: Base-Base interactions energy: -1216.982 where: short stacking energy: -559.090 Base-Backbone interact. energy: -0.820 local terms energy: -758.013746 where: bonds (distance) C4'-P energy: -159.359 bonds (distance) P-C4' energy: -189.375 flat angles C4'-P-C4' energy: -172.980 flat angles P-C4'-P energy: -108.925 tors. eta vs tors. theta energy: -127.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1613.459018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.459018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.459018 (E_RNA) where: Base-Base interactions energy: -924.369 where: short stacking energy: -461.912 Base-Backbone interact. energy: -1.819 local terms energy: -687.270751 where: bonds (distance) C4'-P energy: -175.482 bonds (distance) P-C4' energy: -156.056 flat angles C4'-P-C4' energy: -161.411 flat angles P-C4'-P energy: -99.785 tors. eta vs tors. theta energy: -94.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1441.001928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.001928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.001928 (E_RNA) where: Base-Base interactions energy: -807.696 where: short stacking energy: -404.368 Base-Backbone interact. energy: 2.299 local terms energy: -635.605393 where: bonds (distance) C4'-P energy: -158.446 bonds (distance) P-C4' energy: -175.729 flat angles C4'-P-C4' energy: -177.552 flat angles P-C4'-P energy: -70.371 tors. eta vs tors. theta energy: -53.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1295.674395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.674395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.674395 (E_RNA) where: Base-Base interactions energy: -688.394 where: short stacking energy: -327.432 Base-Backbone interact. energy: 3.500 local terms energy: -610.780755 where: bonds (distance) C4'-P energy: -160.533 bonds (distance) P-C4' energy: -176.475 flat angles C4'-P-C4' energy: -162.107 flat angles P-C4'-P energy: -75.886 tors. eta vs tors. theta energy: -35.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -878.957377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.957377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.957377 (E_RNA) where: Base-Base interactions energy: -372.106 where: short stacking energy: -246.805 Base-Backbone interact. energy: 4.620 local terms energy: -511.471154 where: bonds (distance) C4'-P energy: -128.925 bonds (distance) P-C4' energy: -159.359 flat angles C4'-P-C4' energy: -152.056 flat angles P-C4'-P energy: -84.500 tors. eta vs tors. theta energy: 13.369 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: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -921.122410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.122410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.122410 (E_RNA) where: Base-Base interactions energy: -400.831 where: short stacking energy: -253.572 Base-Backbone interact. energy: 2.365 local terms energy: -522.656347 where: bonds (distance) C4'-P energy: -152.039 bonds (distance) P-C4' energy: -153.366 flat angles C4'-P-C4' energy: -141.605 flat angles P-C4'-P energy: -87.638 tors. eta vs tors. theta energy: 11.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -655.952914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.952914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.952914 (E_RNA) where: Base-Base interactions energy: -239.738 where: short stacking energy: -172.361 Base-Backbone interact. energy: 6.352 local terms energy: -422.566556 where: bonds (distance) C4'-P energy: -142.929 bonds (distance) P-C4' energy: -142.128 flat angles C4'-P-C4' energy: -111.131 flat angles P-C4'-P energy: -73.590 tors. eta vs tors. theta energy: 47.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2576.262855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.262855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.262855 (E_RNA) where: Base-Base interactions energy: -1644.695 where: short stacking energy: -784.683 Base-Backbone interact. energy: -3.614 local terms energy: -927.954211 where: bonds (distance) C4'-P energy: -185.975 bonds (distance) P-C4' energy: -177.539 flat angles C4'-P-C4' energy: -204.041 flat angles P-C4'-P energy: -123.658 tors. eta vs tors. theta energy: -236.740 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: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2324.187995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.187995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.187995 (E_RNA) where: Base-Base interactions energy: -1505.389 where: short stacking energy: -655.482 Base-Backbone interact. energy: -2.668 local terms energy: -816.130660 where: bonds (distance) C4'-P energy: -172.488 bonds (distance) P-C4' energy: -185.548 flat angles C4'-P-C4' energy: -170.679 flat angles P-C4'-P energy: -112.450 tors. eta vs tors. theta energy: -174.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2118.005354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.005354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.005354 (E_RNA) where: Base-Base interactions energy: -1317.415 where: short stacking energy: -580.856 Base-Backbone interact. energy: -1.249 local terms energy: -799.341029 where: bonds (distance) C4'-P energy: -165.138 bonds (distance) P-C4' energy: -176.791 flat angles C4'-P-C4' energy: -187.522 flat angles P-C4'-P energy: -111.580 tors. eta vs tors. theta energy: -158.310 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: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1963.569387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.569387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.569387 (E_RNA) where: Base-Base interactions energy: -1226.449 where: short stacking energy: -554.532 Base-Backbone interact. energy: -3.242 local terms energy: -733.878353 where: bonds (distance) C4'-P energy: -169.495 bonds (distance) P-C4' energy: -164.678 flat angles C4'-P-C4' energy: -172.737 flat angles P-C4'-P energy: -101.513 tors. eta vs tors. theta energy: -125.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1580.595966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.595966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.595966 (E_RNA) where: Base-Base interactions energy: -917.371 where: short stacking energy: -425.834 Base-Backbone interact. energy: 4.647 local terms energy: -667.871901 where: bonds (distance) C4'-P energy: -141.411 bonds (distance) P-C4' energy: -173.855 flat angles C4'-P-C4' energy: -153.813 flat angles P-C4'-P energy: -124.560 tors. eta vs tors. theta energy: -74.233 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: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1497.055981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.055981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.055981 (E_RNA) where: Base-Base interactions energy: -833.017 where: short stacking energy: -429.949 Base-Backbone interact. energy: 0.515 local terms energy: -664.554349 where: bonds (distance) C4'-P energy: -163.257 bonds (distance) P-C4' energy: -169.494 flat angles C4'-P-C4' energy: -145.075 flat angles P-C4'-P energy: -110.518 tors. eta vs tors. theta energy: -76.211 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: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1384.011861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.011861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.011861 (E_RNA) where: Base-Base interactions energy: -778.663 where: short stacking energy: -411.001 Base-Backbone interact. energy: -3.565 local terms energy: -601.784195 where: bonds (distance) C4'-P energy: -168.480 bonds (distance) P-C4' energy: -138.063 flat angles C4'-P-C4' energy: -146.318 flat angles P-C4'-P energy: -84.213 tors. eta vs tors. theta energy: -64.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1000.299612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.299612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.299612 (E_RNA) where: Base-Base interactions energy: -457.842 where: short stacking energy: -238.245 Base-Backbone interact. energy: -3.444 local terms energy: -539.013861 where: bonds (distance) C4'-P energy: -148.189 bonds (distance) P-C4' energy: -148.915 flat angles C4'-P-C4' energy: -143.192 flat angles P-C4'-P energy: -105.816 tors. eta vs tors. theta energy: 7.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -848.286215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.286215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.286215 (E_RNA) where: Base-Base interactions energy: -355.691 where: short stacking energy: -238.603 Base-Backbone interact. energy: 3.677 local terms energy: -496.272530 where: bonds (distance) C4'-P energy: -153.466 bonds (distance) P-C4' energy: -134.889 flat angles C4'-P-C4' energy: -149.273 flat angles P-C4'-P energy: -69.454 tors. eta vs tors. theta energy: 10.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -690.277817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.277817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.277817 (E_RNA) where: Base-Base interactions energy: -288.395 where: short stacking energy: -199.406 Base-Backbone interact. energy: -0.579 local terms energy: -401.303279 where: bonds (distance) C4'-P energy: -125.754 bonds (distance) P-C4' energy: -131.175 flat angles C4'-P-C4' energy: -98.952 flat angles P-C4'-P energy: -82.165 tors. eta vs tors. theta energy: 36.744 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: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2614.669184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.669184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.669184 (E_RNA) where: Base-Base interactions energy: -1642.484 where: short stacking energy: -828.576 Base-Backbone interact. energy: -1.573 local terms energy: -970.612020 where: bonds (distance) C4'-P energy: -195.470 bonds (distance) P-C4' energy: -180.697 flat angles C4'-P-C4' energy: -204.374 flat angles P-C4'-P energy: -143.374 tors. eta vs tors. theta energy: -246.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2366.613380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.613380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.613380 (E_RNA) where: Base-Base interactions energy: -1531.354 where: short stacking energy: -674.127 Base-Backbone interact. energy: -1.067 local terms energy: -834.193261 where: bonds (distance) C4'-P energy: -186.316 bonds (distance) P-C4' energy: -175.902 flat angles C4'-P-C4' energy: -182.460 flat angles P-C4'-P energy: -107.036 tors. eta vs tors. theta energy: -182.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2157.615007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.615007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.615007 (E_RNA) where: Base-Base interactions energy: -1342.838 where: short stacking energy: -650.427 Base-Backbone interact. energy: -4.795 local terms energy: -809.981383 where: bonds (distance) C4'-P energy: -154.163 bonds (distance) P-C4' energy: -175.706 flat angles C4'-P-C4' energy: -196.869 flat angles P-C4'-P energy: -115.103 tors. eta vs tors. theta energy: -168.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1961.998209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.998209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.998209 (E_RNA) where: Base-Base interactions energy: -1227.409 where: short stacking energy: -573.667 Base-Backbone interact. energy: -4.932 local terms energy: -729.656762 where: bonds (distance) C4'-P energy: -146.492 bonds (distance) P-C4' energy: -177.502 flat angles C4'-P-C4' energy: -183.995 flat angles P-C4'-P energy: -97.378 tors. eta vs tors. theta energy: -124.289 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: 40 Temperature: 1.100000 Total energy: -1545.196443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.196443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.196443 (E_RNA) where: Base-Base interactions energy: -881.427 where: short stacking energy: -473.489 Base-Backbone interact. energy: -1.195 local terms energy: -662.574759 where: bonds (distance) C4'-P energy: -144.095 bonds (distance) P-C4' energy: -153.512 flat angles C4'-P-C4' energy: -165.279 flat angles P-C4'-P energy: -109.274 tors. eta vs tors. theta energy: -90.415 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: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1565.365182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.365182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.365182 (E_RNA) where: Base-Base interactions energy: -889.233 where: short stacking energy: -443.255 Base-Backbone interact. energy: 2.565 local terms energy: -678.697523 where: bonds (distance) C4'-P energy: -163.761 bonds (distance) P-C4' energy: -159.729 flat angles C4'-P-C4' energy: -171.812 flat angles P-C4'-P energy: -88.757 tors. eta vs tors. theta energy: -94.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1338.839673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.839673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.839673 (E_RNA) where: Base-Base interactions energy: -756.499 where: short stacking energy: -362.817 Base-Backbone interact. energy: 1.852 local terms energy: -584.192495 where: bonds (distance) C4'-P energy: -146.951 bonds (distance) P-C4' energy: -155.187 flat angles C4'-P-C4' energy: -165.509 flat angles P-C4'-P energy: -88.909 tors. eta vs tors. theta energy: -27.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1046.884913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.884913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.884913 (E_RNA) where: Base-Base interactions energy: -483.227 where: short stacking energy: -297.027 Base-Backbone interact. energy: -1.521 local terms energy: -562.136075 where: bonds (distance) C4'-P energy: -144.925 bonds (distance) P-C4' energy: -150.484 flat angles C4'-P-C4' energy: -130.090 flat angles P-C4'-P energy: -93.492 tors. eta vs tors. theta energy: -43.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -793.172143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.172143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.172143 (E_RNA) where: Base-Base interactions energy: -324.704 where: short stacking energy: -208.595 Base-Backbone interact. energy: -3.145 local terms energy: -465.322990 where: bonds (distance) C4'-P energy: -148.668 bonds (distance) P-C4' energy: -172.654 flat angles C4'-P-C4' energy: -121.526 flat angles P-C4'-P energy: -62.846 tors. eta vs tors. theta energy: 40.371 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: 1 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -753.921433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.921433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.921433 (E_RNA) where: Base-Base interactions energy: -313.456 where: short stacking energy: -218.400 Base-Backbone interact. energy: -2.498 local terms energy: -437.967731 where: bonds (distance) C4'-P energy: -125.630 bonds (distance) P-C4' energy: -125.335 flat angles C4'-P-C4' energy: -144.986 flat angles P-C4'-P energy: -60.642 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: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2588.291273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.291273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.291273 (E_RNA) where: Base-Base interactions energy: -1658.751 where: short stacking energy: -773.115 Base-Backbone interact. energy: -2.213 local terms energy: -927.328163 where: bonds (distance) C4'-P energy: -181.391 bonds (distance) P-C4' energy: -184.384 flat angles C4'-P-C4' energy: -211.744 flat angles P-C4'-P energy: -125.632 tors. eta vs tors. theta energy: -224.178 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: 9 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2437.808012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.808012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.808012 (E_RNA) where: Base-Base interactions energy: -1573.631 where: short stacking energy: -720.622 Base-Backbone interact. energy: 1.856 local terms energy: -866.033427 where: bonds (distance) C4'-P energy: -184.442 bonds (distance) P-C4' energy: -153.964 flat angles C4'-P-C4' energy: -198.168 flat angles P-C4'-P energy: -119.237 tors. eta vs tors. theta energy: -210.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2093.400871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.400871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.400871 (E_RNA) where: Base-Base interactions energy: -1269.390 where: short stacking energy: -601.086 Base-Backbone interact. energy: -5.250 local terms energy: -818.760779 where: bonds (distance) C4'-P energy: -178.341 bonds (distance) P-C4' energy: -164.926 flat angles C4'-P-C4' energy: -185.372 flat angles P-C4'-P energy: -133.425 tors. eta vs tors. theta energy: -156.697 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: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1948.312896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.312896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.312896 (E_RNA) where: Base-Base interactions energy: -1187.894 where: short stacking energy: -553.979 Base-Backbone interact. energy: 0.319 local terms energy: -760.738148 where: bonds (distance) C4'-P energy: -175.401 bonds (distance) P-C4' energy: -179.455 flat angles C4'-P-C4' energy: -174.564 flat angles P-C4'-P energy: -108.108 tors. eta vs tors. theta energy: -123.210 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: 5, replica: 2 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1602.481695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.481695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.481695 (E_RNA) where: Base-Base interactions energy: -900.309 where: short stacking energy: -425.829 Base-Backbone interact. energy: -2.327 local terms energy: -699.845578 where: bonds (distance) C4'-P energy: -143.808 bonds (distance) P-C4' energy: -179.280 flat angles C4'-P-C4' energy: -173.852 flat angles P-C4'-P energy: -106.052 tors. eta vs tors. theta energy: -96.853 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: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1548.053161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.053161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.053161 (E_RNA) where: Base-Base interactions energy: -886.181 where: short stacking energy: -411.977 Base-Backbone interact. energy: -1.347 local terms energy: -660.524787 where: bonds (distance) C4'-P energy: -165.617 bonds (distance) P-C4' energy: -154.293 flat angles C4'-P-C4' energy: -148.278 flat angles P-C4'-P energy: -107.271 tors. eta vs tors. theta energy: -85.066 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: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1324.576309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.576309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.576309 (E_RNA) where: Base-Base interactions energy: -734.593 where: short stacking energy: -367.287 Base-Backbone interact. energy: 0.453 local terms energy: -590.435600 where: bonds (distance) C4'-P energy: -150.886 bonds (distance) P-C4' energy: -142.611 flat angles C4'-P-C4' energy: -145.472 flat angles P-C4'-P energy: -99.664 tors. eta vs tors. theta energy: -51.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1040.608321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.608321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.608321 (E_RNA) where: Base-Base interactions energy: -507.836 where: short stacking energy: -256.619 Base-Backbone interact. energy: -0.423 local terms energy: -532.349554 where: bonds (distance) C4'-P energy: -142.381 bonds (distance) P-C4' energy: -168.113 flat angles C4'-P-C4' energy: -153.313 flat angles P-C4'-P energy: -85.882 tors. eta vs tors. theta energy: 17.339 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: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -857.753879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.753879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.753879 (E_RNA) where: Base-Base interactions energy: -367.921 where: short stacking energy: -203.650 Base-Backbone interact. energy: 1.105 local terms energy: -490.938214 where: bonds (distance) C4'-P energy: -152.471 bonds (distance) P-C4' energy: -154.076 flat angles C4'-P-C4' energy: -105.095 flat angles P-C4'-P energy: -103.969 tors. eta vs tors. theta energy: 24.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -750.929711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.929711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.929711 (E_RNA) where: Base-Base interactions energy: -295.202 where: short stacking energy: -196.591 Base-Backbone interact. energy: -3.464 local terms energy: -452.264028 where: bonds (distance) C4'-P energy: -142.847 bonds (distance) P-C4' energy: -139.514 flat angles C4'-P-C4' energy: -113.951 flat angles P-C4'-P energy: -81.853 tors. eta vs tors. theta energy: 25.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2608.212705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.212705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.212705 (E_RNA) where: Base-Base interactions energy: -1681.085 where: short stacking energy: -796.551 Base-Backbone interact. energy: 0.116 local terms energy: -927.243582 where: bonds (distance) C4'-P energy: -180.669 bonds (distance) P-C4' energy: -190.688 flat angles C4'-P-C4' energy: -207.503 flat angles P-C4'-P energy: -128.210 tors. eta vs tors. theta energy: -220.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2487.711749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.711749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.711749 (E_RNA) where: Base-Base interactions energy: -1558.506 where: short stacking energy: -695.671 Base-Backbone interact. energy: -4.166 local terms energy: -925.039077 where: bonds (distance) C4'-P energy: -178.639 bonds (distance) P-C4' energy: -197.486 flat angles C4'-P-C4' energy: -200.996 flat angles P-C4'-P energy: -125.213 tors. eta vs tors. theta energy: -222.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2091.043000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.043000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.043000 (E_RNA) where: Base-Base interactions energy: -1302.908 where: short stacking energy: -595.445 Base-Backbone interact. energy: -6.981 local terms energy: -781.154423 where: bonds (distance) C4'-P energy: -166.811 bonds (distance) P-C4' energy: -179.256 flat angles C4'-P-C4' energy: -162.088 flat angles P-C4'-P energy: -124.791 tors. eta vs tors. theta energy: -148.209 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: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1867.010852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.010852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.010852 (E_RNA) where: Base-Base interactions energy: -1116.765 where: short stacking energy: -576.897 Base-Backbone interact. energy: 5.445 local terms energy: -755.691536 where: bonds (distance) C4'-P energy: -173.167 bonds (distance) P-C4' energy: -170.169 flat angles C4'-P-C4' energy: -172.361 flat angles P-C4'-P energy: -115.476 tors. eta vs tors. theta energy: -124.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1661.672154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.672154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.672154 (E_RNA) where: Base-Base interactions energy: -918.281 where: short stacking energy: -472.352 Base-Backbone interact. energy: -3.436 local terms energy: -739.954519 where: bonds (distance) C4'-P energy: -165.141 bonds (distance) P-C4' energy: -162.950 flat angles C4'-P-C4' energy: -168.983 flat angles P-C4'-P energy: -117.299 tors. eta vs tors. theta energy: -125.583 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: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1603.577919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.577919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.577919 (E_RNA) where: Base-Base interactions energy: -942.167 where: short stacking energy: -490.140 Base-Backbone interact. energy: -4.117 local terms energy: -657.293701 where: bonds (distance) C4'-P energy: -162.459 bonds (distance) P-C4' energy: -171.764 flat angles C4'-P-C4' energy: -142.369 flat angles P-C4'-P energy: -94.824 tors. eta vs tors. theta energy: -85.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1381.224051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.224051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.224051 (E_RNA) where: Base-Base interactions energy: -782.565 where: short stacking energy: -398.105 Base-Backbone interact. energy: -2.196 local terms energy: -596.463368 where: bonds (distance) C4'-P energy: -156.128 bonds (distance) P-C4' energy: -143.950 flat angles C4'-P-C4' energy: -144.341 flat angles P-C4'-P energy: -97.402 tors. eta vs tors. theta energy: -54.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1075.120119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.120119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.120119 (E_RNA) where: Base-Base interactions energy: -520.448 where: short stacking energy: -261.226 Base-Backbone interact. energy: 0.590 local terms energy: -555.262200 where: bonds (distance) C4'-P energy: -143.335 bonds (distance) P-C4' energy: -157.647 flat angles C4'-P-C4' energy: -151.421 flat angles P-C4'-P energy: -96.198 tors. eta vs tors. theta energy: -6.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -895.711724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.711724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.711724 (E_RNA) where: Base-Base interactions energy: -391.273 where: short stacking energy: -236.143 Base-Backbone interact. energy: 7.138 local terms energy: -511.577342 where: bonds (distance) C4'-P energy: -133.746 bonds (distance) P-C4' energy: -163.737 flat angles C4'-P-C4' energy: -138.306 flat angles P-C4'-P energy: -72.834 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -719.723904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.723904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.723904 (E_RNA) where: Base-Base interactions energy: -257.452 where: short stacking energy: -181.255 Base-Backbone interact. energy: 1.292 local terms energy: -463.563647 where: bonds (distance) C4'-P energy: -153.976 bonds (distance) P-C4' energy: -147.228 flat angles C4'-P-C4' energy: -103.269 flat angles P-C4'-P energy: -86.518 tors. eta vs tors. theta energy: 27.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2573.742960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.742960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.742960 (E_RNA) where: Base-Base interactions energy: -1667.848 where: short stacking energy: -794.020 Base-Backbone interact. energy: -0.025 local terms energy: -905.869255 where: bonds (distance) C4'-P energy: -181.622 bonds (distance) P-C4' energy: -169.876 flat angles C4'-P-C4' energy: -197.143 flat angles P-C4'-P energy: -131.296 tors. eta vs tors. theta energy: -225.932 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: 43 Temperature: 0.950000 Total energy: -2456.621755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.621755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.621755 (E_RNA) where: Base-Base interactions energy: -1588.757 where: short stacking energy: -670.661 Base-Backbone interact. energy: -8.010 local terms energy: -859.853945 where: bonds (distance) C4'-P energy: -183.913 bonds (distance) P-C4' energy: -188.247 flat angles C4'-P-C4' energy: -185.804 flat angles P-C4'-P energy: -110.062 tors. eta vs tors. theta energy: -191.828 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: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2060.624328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.624328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.624328 (E_RNA) where: Base-Base interactions energy: -1263.740 where: short stacking energy: -626.831 Base-Backbone interact. energy: -3.644 local terms energy: -793.240781 where: bonds (distance) C4'-P energy: -173.402 bonds (distance) P-C4' energy: -187.519 flat angles C4'-P-C4' energy: -174.527 flat angles P-C4'-P energy: -102.174 tors. eta vs tors. theta energy: -155.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1942.181211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.181211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.181211 (E_RNA) where: Base-Base interactions energy: -1191.462 where: short stacking energy: -543.259 Base-Backbone interact. energy: 0.220 local terms energy: -750.939135 where: bonds (distance) C4'-P energy: -168.782 bonds (distance) P-C4' energy: -170.194 flat angles C4'-P-C4' energy: -176.128 flat angles P-C4'-P energy: -99.146 tors. eta vs tors. theta energy: -136.689 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: 5, replica: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1686.317766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.317766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.317766 (E_RNA) where: Base-Base interactions energy: -991.994 where: short stacking energy: -468.378 Base-Backbone interact. energy: -1.139 local terms energy: -693.184754 where: bonds (distance) C4'-P energy: -164.153 bonds (distance) P-C4' energy: -167.325 flat angles C4'-P-C4' energy: -160.779 flat angles P-C4'-P energy: -105.486 tors. eta vs tors. theta energy: -95.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1584.746574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.746574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.746574 (E_RNA) where: Base-Base interactions energy: -905.735 where: short stacking energy: -431.690 Base-Backbone interact. energy: -4.238 local terms energy: -674.773478 where: bonds (distance) C4'-P energy: -158.598 bonds (distance) P-C4' energy: -176.353 flat angles C4'-P-C4' energy: -144.716 flat angles P-C4'-P energy: -103.239 tors. eta vs tors. theta energy: -91.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1327.224727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.224727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.224727 (E_RNA) where: Base-Base interactions energy: -762.272 where: short stacking energy: -386.569 Base-Backbone interact. energy: 0.479 local terms energy: -565.431285 where: bonds (distance) C4'-P energy: -127.830 bonds (distance) P-C4' energy: -141.631 flat angles C4'-P-C4' energy: -141.707 flat angles P-C4'-P energy: -91.985 tors. eta vs tors. theta energy: -62.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -945.119254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.119254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.119254 (E_RNA) where: Base-Base interactions energy: -419.444 where: short stacking energy: -245.789 Base-Backbone interact. energy: -6.556 local terms energy: -519.119427 where: bonds (distance) C4'-P energy: -170.554 bonds (distance) P-C4' energy: -159.100 flat angles C4'-P-C4' energy: -137.036 flat angles P-C4'-P energy: -61.826 tors. eta vs tors. theta energy: 9.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -819.727347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.727347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.727347 (E_RNA) where: Base-Base interactions energy: -331.556 where: short stacking energy: -206.561 Base-Backbone interact. energy: -1.855 local terms energy: -486.316603 where: bonds (distance) C4'-P energy: -135.775 bonds (distance) P-C4' energy: -160.585 flat angles C4'-P-C4' energy: -141.191 flat angles P-C4'-P energy: -74.692 tors. eta vs tors. theta energy: 25.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -717.233667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.233667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.233667 (E_RNA) where: Base-Base interactions energy: -264.849 where: short stacking energy: -191.911 Base-Backbone interact. energy: -1.893 local terms energy: -450.492124 where: bonds (distance) C4'-P energy: -155.064 bonds (distance) P-C4' energy: -143.568 flat angles C4'-P-C4' energy: -138.785 flat angles P-C4'-P energy: -56.357 tors. eta vs tors. theta energy: 43.282 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: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2606.663305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.663305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.663305 (E_RNA) where: Base-Base interactions energy: -1663.303 where: short stacking energy: -791.096 Base-Backbone interact. energy: -4.025 local terms energy: -939.334975 where: bonds (distance) C4'-P energy: -186.773 bonds (distance) P-C4' energy: -191.156 flat angles C4'-P-C4' energy: -196.441 flat angles P-C4'-P energy: -145.270 tors. eta vs tors. theta energy: -219.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2494.449141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.449141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.449141 (E_RNA) where: Base-Base interactions energy: -1607.455 where: short stacking energy: -711.266 Base-Backbone interact. energy: -1.241 local terms energy: -885.753249 where: bonds (distance) C4'-P energy: -175.742 bonds (distance) P-C4' energy: -175.048 flat angles C4'-P-C4' energy: -188.325 flat angles P-C4'-P energy: -134.599 tors. eta vs tors. theta energy: -212.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2154.848410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.848410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.848410 (E_RNA) where: Base-Base interactions energy: -1317.795 where: short stacking energy: -616.251 Base-Backbone interact. energy: -3.127 local terms energy: -833.925936 where: bonds (distance) C4'-P energy: -180.163 bonds (distance) P-C4' energy: -186.986 flat angles C4'-P-C4' energy: -176.861 flat angles P-C4'-P energy: -130.278 tors. eta vs tors. theta energy: -159.638 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: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1994.916682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.916682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.916682 (E_RNA) where: Base-Base interactions energy: -1224.809 where: short stacking energy: -564.850 Base-Backbone interact. energy: -2.488 local terms energy: -767.619333 where: bonds (distance) C4'-P energy: -163.647 bonds (distance) P-C4' energy: -179.407 flat angles C4'-P-C4' energy: -181.242 flat angles P-C4'-P energy: -110.396 tors. eta vs tors. theta energy: -132.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1682.693004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.693004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.693004 (E_RNA) where: Base-Base interactions energy: -968.312 where: short stacking energy: -479.856 Base-Backbone interact. energy: -1.951 local terms energy: -712.430616 where: bonds (distance) C4'-P energy: -145.241 bonds (distance) P-C4' energy: -186.098 flat angles C4'-P-C4' energy: -154.239 flat angles P-C4'-P energy: -115.557 tors. eta vs tors. theta energy: -111.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1574.734752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.734752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.734752 (E_RNA) where: Base-Base interactions energy: -895.316 where: short stacking energy: -436.638 Base-Backbone interact. energy: 3.969 local terms energy: -683.388138 where: bonds (distance) C4'-P energy: -148.830 bonds (distance) P-C4' energy: -157.025 flat angles C4'-P-C4' energy: -167.744 flat angles P-C4'-P energy: -114.643 tors. eta vs tors. theta energy: -95.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1376.923257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.923257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.923257 (E_RNA) where: Base-Base interactions energy: -779.276 where: short stacking energy: -381.839 Base-Backbone interact. energy: -2.935 local terms energy: -594.712279 where: bonds (distance) C4'-P energy: -155.765 bonds (distance) P-C4' energy: -164.115 flat angles C4'-P-C4' energy: -164.629 flat angles P-C4'-P energy: -57.053 tors. eta vs tors. theta energy: -53.150 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: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -879.854277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.854277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.854277 (E_RNA) where: Base-Base interactions energy: -366.683 where: short stacking energy: -248.108 Base-Backbone interact. energy: 4.020 local terms energy: -517.191052 where: bonds (distance) C4'-P energy: -144.570 bonds (distance) P-C4' energy: -154.185 flat angles C4'-P-C4' energy: -144.919 flat angles P-C4'-P energy: -94.355 tors. eta vs tors. theta energy: 20.836 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: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -799.276497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.276497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.276497 (E_RNA) where: Base-Base interactions energy: -359.372 where: short stacking energy: -238.969 Base-Backbone interact. energy: -0.537 local terms energy: -439.367330 where: bonds (distance) C4'-P energy: -142.323 bonds (distance) P-C4' energy: -144.776 flat angles C4'-P-C4' energy: -124.456 flat angles P-C4'-P energy: -73.339 tors. eta vs tors. theta energy: 45.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -727.735579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.735579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.735579 (E_RNA) where: Base-Base interactions energy: -292.803 where: short stacking energy: -174.909 Base-Backbone interact. energy: 7.020 local terms energy: -441.952996 where: bonds (distance) C4'-P energy: -131.120 bonds (distance) P-C4' energy: -164.512 flat angles C4'-P-C4' energy: -102.736 flat angles P-C4'-P energy: -70.297 tors. eta vs tors. theta energy: 26.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2617.014298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.014298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.014298 (E_RNA) where: Base-Base interactions energy: -1673.484 where: short stacking energy: -830.369 Base-Backbone interact. energy: 3.944 local terms energy: -947.474527 where: bonds (distance) C4'-P energy: -196.004 bonds (distance) P-C4' energy: -179.105 flat angles C4'-P-C4' energy: -199.263 flat angles P-C4'-P energy: -144.078 tors. eta vs tors. theta energy: -229.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2496.945158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.945158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.945158 (E_RNA) where: Base-Base interactions energy: -1585.173 where: short stacking energy: -690.242 Base-Backbone interact. energy: -5.331 local terms energy: -906.441596 where: bonds (distance) C4'-P energy: -174.502 bonds (distance) P-C4' energy: -189.835 flat angles C4'-P-C4' energy: -201.402 flat angles P-C4'-P energy: -129.555 tors. eta vs tors. theta energy: -211.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2127.741057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.741057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.741057 (E_RNA) where: Base-Base interactions energy: -1307.258 where: short stacking energy: -628.411 Base-Backbone interact. energy: -1.219 local terms energy: -819.263521 where: bonds (distance) C4'-P energy: -181.328 bonds (distance) P-C4' energy: -181.858 flat angles C4'-P-C4' energy: -176.791 flat angles P-C4'-P energy: -99.872 tors. eta vs tors. theta energy: -179.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2006.927748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.927748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.927748 (E_RNA) where: Base-Base interactions energy: -1316.869 where: short stacking energy: -538.059 Base-Backbone interact. energy: 3.978 local terms energy: -694.036724 where: bonds (distance) C4'-P energy: -149.902 bonds (distance) P-C4' energy: -165.990 flat angles C4'-P-C4' energy: -162.505 flat angles P-C4'-P energy: -106.847 tors. eta vs tors. theta energy: -108.792 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: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1668.314176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.314176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.314176 (E_RNA) where: Base-Base interactions energy: -989.997 where: short stacking energy: -499.083 Base-Backbone interact. energy: 1.565 local terms energy: -679.881949 where: bonds (distance) C4'-P energy: -173.994 bonds (distance) P-C4' energy: -164.695 flat angles C4'-P-C4' energy: -158.588 flat angles P-C4'-P energy: -91.243 tors. eta vs tors. theta energy: -91.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1582.504331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.504331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.504331 (E_RNA) where: Base-Base interactions energy: -950.097 where: short stacking energy: -462.231 Base-Backbone interact. energy: 5.448 local terms energy: -637.855032 where: bonds (distance) C4'-P energy: -149.463 bonds (distance) P-C4' energy: -162.733 flat angles C4'-P-C4' energy: -146.367 flat angles P-C4'-P energy: -88.539 tors. eta vs tors. theta energy: -90.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1506.898511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.898511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.898511 (E_RNA) where: Base-Base interactions energy: -874.675 where: short stacking energy: -415.691 Base-Backbone interact. energy: 0.519 local terms energy: -632.742406 where: bonds (distance) C4'-P energy: -155.425 bonds (distance) P-C4' energy: -156.815 flat angles C4'-P-C4' energy: -157.220 flat angles P-C4'-P energy: -88.901 tors. eta vs tors. theta energy: -74.382 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: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -906.594230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.594230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.594230 (E_RNA) where: Base-Base interactions energy: -392.897 where: short stacking energy: -244.469 Base-Backbone interact. energy: -2.022 local terms energy: -511.675804 where: bonds (distance) C4'-P energy: -147.588 bonds (distance) P-C4' energy: -140.754 flat angles C4'-P-C4' energy: -142.217 flat angles P-C4'-P energy: -70.218 tors. eta vs tors. theta energy: -10.898 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: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -902.387347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.387347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.387347 (E_RNA) where: Base-Base interactions energy: -430.997 where: short stacking energy: -234.448 Base-Backbone interact. energy: 1.066 local terms energy: -472.456723 where: bonds (distance) C4'-P energy: -132.702 bonds (distance) P-C4' energy: -141.795 flat angles C4'-P-C4' energy: -140.071 flat angles P-C4'-P energy: -70.166 tors. eta vs tors. theta energy: 12.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -780.296897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.296897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.296897 (E_RNA) where: Base-Base interactions energy: -295.149 where: short stacking energy: -187.153 Base-Backbone interact. energy: -2.547 local terms energy: -482.600082 where: bonds (distance) C4'-P energy: -146.688 bonds (distance) P-C4' energy: -176.304 flat angles C4'-P-C4' energy: -123.777 flat angles P-C4'-P energy: -70.886 tors. eta vs tors. theta energy: 35.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2593.708557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.708557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.708557 (E_RNA) where: Base-Base interactions energy: -1661.387 where: short stacking energy: -781.471 Base-Backbone interact. energy: -2.038 local terms energy: -930.283017 where: bonds (distance) C4'-P energy: -207.703 bonds (distance) P-C4' energy: -169.062 flat angles C4'-P-C4' energy: -191.852 flat angles P-C4'-P energy: -139.849 tors. eta vs tors. theta energy: -221.817 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: 9 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2486.176365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.176365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.176365 (E_RNA) where: Base-Base interactions energy: -1573.647 where: short stacking energy: -700.719 Base-Backbone interact. energy: -2.683 local terms energy: -909.846663 where: bonds (distance) C4'-P energy: -172.696 bonds (distance) P-C4' energy: -193.758 flat angles C4'-P-C4' energy: -194.708 flat angles P-C4'-P energy: -143.860 tors. eta vs tors. theta energy: -204.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2155.895382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.895382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.895382 (E_RNA) where: Base-Base interactions energy: -1352.332 where: short stacking energy: -624.500 Base-Backbone interact. energy: -3.186 local terms energy: -800.377972 where: bonds (distance) C4'-P energy: -175.036 bonds (distance) P-C4' energy: -172.639 flat angles C4'-P-C4' energy: -163.774 flat angles P-C4'-P energy: -128.827 tors. eta vs tors. theta energy: -160.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2034.272605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.272605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.272605 (E_RNA) where: Base-Base interactions energy: -1283.274 where: short stacking energy: -584.349 Base-Backbone interact. energy: -2.889 local terms energy: -748.109910 where: bonds (distance) C4'-P energy: -176.187 bonds (distance) P-C4' energy: -172.565 flat angles C4'-P-C4' energy: -165.849 flat angles P-C4'-P energy: -90.092 tors. eta vs tors. theta energy: -143.416 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: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1657.742311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.742311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.742311 (E_RNA) where: Base-Base interactions energy: -959.641 where: short stacking energy: -488.916 Base-Backbone interact. energy: 0.456 local terms energy: -698.557667 where: bonds (distance) C4'-P energy: -153.155 bonds (distance) P-C4' energy: -170.868 flat angles C4'-P-C4' energy: -184.162 flat angles P-C4'-P energy: -90.195 tors. eta vs tors. theta energy: -100.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1715.535992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.535992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.535992 (E_RNA) where: Base-Base interactions energy: -1014.751 where: short stacking energy: -482.151 Base-Backbone interact. energy: -2.075 local terms energy: -698.710406 where: bonds (distance) C4'-P energy: -163.969 bonds (distance) P-C4' energy: -162.571 flat angles C4'-P-C4' energy: -148.524 flat angles P-C4'-P energy: -118.482 tors. eta vs tors. theta energy: -105.164 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: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1407.323875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.323875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.323875 (E_RNA) where: Base-Base interactions energy: -789.061 where: short stacking energy: -386.715 Base-Backbone interact. energy: 0.446 local terms energy: -618.709523 where: bonds (distance) C4'-P energy: -146.213 bonds (distance) P-C4' energy: -175.056 flat angles C4'-P-C4' energy: -142.211 flat angles P-C4'-P energy: -92.300 tors. eta vs tors. theta energy: -62.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -955.326369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.326369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.326369 (E_RNA) where: Base-Base interactions energy: -405.129 where: short stacking energy: -248.841 Base-Backbone interact. energy: -0.529 local terms energy: -549.668199 where: bonds (distance) C4'-P energy: -137.500 bonds (distance) P-C4' energy: -170.497 flat angles C4'-P-C4' energy: -130.956 flat angles P-C4'-P energy: -96.197 tors. eta vs tors. theta energy: -14.517 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: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -823.656713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.656713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.656713 (E_RNA) where: Base-Base interactions energy: -312.187 where: short stacking energy: -213.383 Base-Backbone interact. energy: -0.032 local terms energy: -511.437330 where: bonds (distance) C4'-P energy: -168.504 bonds (distance) P-C4' energy: -161.828 flat angles C4'-P-C4' energy: -131.097 flat angles P-C4'-P energy: -74.588 tors. eta vs tors. theta energy: 24.580 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: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -685.483337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.483337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.483337 (E_RNA) where: Base-Base interactions energy: -260.358 where: short stacking energy: -171.397 Base-Backbone interact. energy: 5.264 local terms energy: -430.389110 where: bonds (distance) C4'-P energy: -118.644 bonds (distance) P-C4' energy: -148.717 flat angles C4'-P-C4' energy: -110.996 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: 29.660 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: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2594.834228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.834228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.834228 (E_RNA) where: Base-Base interactions energy: -1657.096 where: short stacking energy: -808.718 Base-Backbone interact. energy: -2.258 local terms energy: -935.480521 where: bonds (distance) C4'-P energy: -182.985 bonds (distance) P-C4' energy: -184.535 flat angles C4'-P-C4' energy: -204.054 flat angles P-C4'-P energy: -133.009 tors. eta vs tors. theta energy: -230.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2490.888352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.888352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.888352 (E_RNA) where: Base-Base interactions energy: -1617.927 where: short stacking energy: -735.915 Base-Backbone interact. energy: -8.772 local terms energy: -864.189143 where: bonds (distance) C4'-P energy: -176.552 bonds (distance) P-C4' energy: -176.455 flat angles C4'-P-C4' energy: -181.847 flat angles P-C4'-P energy: -126.890 tors. eta vs tors. theta energy: -202.445 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: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2112.262256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.262256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.262256 (E_RNA) where: Base-Base interactions energy: -1280.962 where: short stacking energy: -636.753 Base-Backbone interact. energy: -3.241 local terms energy: -828.059099 where: bonds (distance) C4'-P energy: -173.131 bonds (distance) P-C4' energy: -171.951 flat angles C4'-P-C4' energy: -190.871 flat angles P-C4'-P energy: -122.558 tors. eta vs tors. theta energy: -169.547 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: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2077.357451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.357451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.357451 (E_RNA) where: Base-Base interactions energy: -1297.820 where: short stacking energy: -610.761 Base-Backbone interact. energy: -4.448 local terms energy: -775.089851 where: bonds (distance) C4'-P energy: -145.253 bonds (distance) P-C4' energy: -189.437 flat angles C4'-P-C4' energy: -166.506 flat angles P-C4'-P energy: -120.940 tors. eta vs tors. theta energy: -152.955 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: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1708.425823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.425823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.425823 (E_RNA) where: Base-Base interactions energy: -995.283 where: short stacking energy: -509.369 Base-Backbone interact. energy: 0.664 local terms energy: -713.806621 where: bonds (distance) C4'-P energy: -178.953 bonds (distance) P-C4' energy: -168.401 flat angles C4'-P-C4' energy: -173.588 flat angles P-C4'-P energy: -98.838 tors. eta vs tors. theta energy: -94.027 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: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1745.999118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.999118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.999118 (E_RNA) where: Base-Base interactions energy: -1038.384 where: short stacking energy: -502.382 Base-Backbone interact. energy: -1.287 local terms energy: -706.327902 where: bonds (distance) C4'-P energy: -142.356 bonds (distance) P-C4' energy: -163.875 flat angles C4'-P-C4' energy: -161.647 flat angles P-C4'-P energy: -112.931 tors. eta vs tors. theta energy: -125.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1354.264721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.264721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.264721 (E_RNA) where: Base-Base interactions energy: -785.722 where: short stacking energy: -368.985 Base-Backbone interact. energy: 0.091 local terms energy: -568.633708 where: bonds (distance) C4'-P energy: -137.451 bonds (distance) P-C4' energy: -162.308 flat angles C4'-P-C4' energy: -118.415 flat angles P-C4'-P energy: -118.045 tors. eta vs tors. theta energy: -32.415 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: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -948.487077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.487077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.487077 (E_RNA) where: Base-Base interactions energy: -433.310 where: short stacking energy: -272.468 Base-Backbone interact. energy: -1.337 local terms energy: -513.840254 where: bonds (distance) C4'-P energy: -152.076 bonds (distance) P-C4' energy: -159.870 flat angles C4'-P-C4' energy: -150.197 flat angles P-C4'-P energy: -74.965 tors. eta vs tors. theta energy: 23.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -791.323083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.323083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.323083 (E_RNA) where: Base-Base interactions energy: -289.947 where: short stacking energy: -196.550 Base-Backbone interact. energy: -0.852 local terms energy: -500.524309 where: bonds (distance) C4'-P energy: -167.019 bonds (distance) P-C4' energy: -179.931 flat angles C4'-P-C4' energy: -118.409 flat angles P-C4'-P energy: -72.066 tors. eta vs tors. theta energy: 36.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -781.246816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.246816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.246816 (E_RNA) where: Base-Base interactions energy: -329.410 where: short stacking energy: -182.363 Base-Backbone interact. energy: 10.998 local terms energy: -462.834629 where: bonds (distance) C4'-P energy: -147.487 bonds (distance) P-C4' energy: -149.529 flat angles C4'-P-C4' energy: -143.217 flat angles P-C4'-P energy: -55.729 tors. eta vs tors. theta energy: 33.127 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: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2568.263611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.263611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.263611 (E_RNA) where: Base-Base interactions energy: -1632.070 where: short stacking energy: -783.828 Base-Backbone interact. energy: -3.374 local terms energy: -932.819723 where: bonds (distance) C4'-P energy: -170.004 bonds (distance) P-C4' energy: -182.358 flat angles C4'-P-C4' energy: -209.397 flat angles P-C4'-P energy: -135.832 tors. eta vs tors. theta energy: -235.229 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: 48 Temperature: 0.950000 Total energy: -2502.729315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.729315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.729315 (E_RNA) where: Base-Base interactions energy: -1603.173 where: short stacking energy: -704.045 Base-Backbone interact. energy: -4.492 local terms energy: -895.064252 where: bonds (distance) C4'-P energy: -166.095 bonds (distance) P-C4' energy: -183.444 flat angles C4'-P-C4' energy: -194.546 flat angles P-C4'-P energy: -150.618 tors. eta vs tors. theta energy: -200.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2096.549230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.549230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.549230 (E_RNA) where: Base-Base interactions energy: -1298.101 where: short stacking energy: -635.922 Base-Backbone interact. energy: -2.780 local terms energy: -795.668861 where: bonds (distance) C4'-P energy: -184.623 bonds (distance) P-C4' energy: -157.127 flat angles C4'-P-C4' energy: -177.322 flat angles P-C4'-P energy: -117.939 tors. eta vs tors. theta energy: -158.657 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: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2053.044422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.044422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.044422 (E_RNA) where: Base-Base interactions energy: -1291.420 where: short stacking energy: -595.104 Base-Backbone interact. energy: -0.504 local terms energy: -761.121150 where: bonds (distance) C4'-P energy: -139.752 bonds (distance) P-C4' energy: -175.884 flat angles C4'-P-C4' energy: -189.552 flat angles P-C4'-P energy: -108.422 tors. eta vs tors. theta energy: -147.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1732.648315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.648315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.648315 (E_RNA) where: Base-Base interactions energy: -986.800 where: short stacking energy: -480.774 Base-Backbone interact. energy: -1.614 local terms energy: -744.234710 where: bonds (distance) C4'-P energy: -177.311 bonds (distance) P-C4' energy: -191.302 flat angles C4'-P-C4' energy: -154.296 flat angles P-C4'-P energy: -114.000 tors. eta vs tors. theta energy: -107.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1721.377488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.377488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.377488 (E_RNA) where: Base-Base interactions energy: -1040.989 where: short stacking energy: -453.110 Base-Backbone interact. energy: 1.605 local terms energy: -681.994038 where: bonds (distance) C4'-P energy: -141.015 bonds (distance) P-C4' energy: -165.877 flat angles C4'-P-C4' energy: -152.237 flat angles P-C4'-P energy: -111.075 tors. eta vs tors. theta energy: -111.790 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: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1313.061265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.061265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.061265 (E_RNA) where: Base-Base interactions energy: -727.108 where: short stacking energy: -369.825 Base-Backbone interact. energy: -1.724 local terms energy: -584.228704 where: bonds (distance) C4'-P energy: -148.233 bonds (distance) P-C4' energy: -157.771 flat angles C4'-P-C4' energy: -141.146 flat angles P-C4'-P energy: -111.738 tors. eta vs tors. theta energy: -25.341 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: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -864.613977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.613977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.613977 (E_RNA) where: Base-Base interactions energy: -349.360 where: short stacking energy: -236.316 Base-Backbone interact. energy: -3.343 local terms energy: -511.911096 where: bonds (distance) C4'-P energy: -131.986 bonds (distance) P-C4' energy: -165.051 flat angles C4'-P-C4' energy: -158.350 flat angles P-C4'-P energy: -74.148 tors. eta vs tors. theta energy: 17.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -808.129514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.129514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.129514 (E_RNA) where: Base-Base interactions energy: -322.804 where: short stacking energy: -205.179 Base-Backbone interact. energy: -2.254 local terms energy: -483.071435 where: bonds (distance) C4'-P energy: -145.791 bonds (distance) P-C4' energy: -146.278 flat angles C4'-P-C4' energy: -142.218 flat angles P-C4'-P energy: -84.457 tors. eta vs tors. theta energy: 35.672 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: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -754.141808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.141808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.141808 (E_RNA) where: Base-Base interactions energy: -292.733 where: short stacking energy: -219.381 Base-Backbone interact. energy: 6.346 local terms energy: -467.754939 where: bonds (distance) C4'-P energy: -143.536 bonds (distance) P-C4' energy: -154.002 flat angles C4'-P-C4' energy: -107.890 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: 4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2604.979661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.979661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.979661 (E_RNA) where: Base-Base interactions energy: -1673.103 where: short stacking energy: -810.359 Base-Backbone interact. energy: -3.283 local terms energy: -928.593452 where: bonds (distance) C4'-P energy: -186.698 bonds (distance) P-C4' energy: -184.179 flat angles C4'-P-C4' energy: -199.252 flat angles P-C4'-P energy: -125.450 tors. eta vs tors. theta energy: -233.014 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: 49 Temperature: 0.950000 Total energy: -2496.610689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.610689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.610689 (E_RNA) where: Base-Base interactions energy: -1598.624 where: short stacking energy: -714.681 Base-Backbone interact. energy: -0.203 local terms energy: -897.783904 where: bonds (distance) C4'-P energy: -181.593 bonds (distance) P-C4' energy: -198.605 flat angles C4'-P-C4' energy: -185.226 flat angles P-C4'-P energy: -120.610 tors. eta vs tors. theta energy: -211.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2047.347841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.347841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.347841 (E_RNA) where: Base-Base interactions energy: -1254.302 where: short stacking energy: -616.303 Base-Backbone interact. energy: -2.414 local terms energy: -790.631507 where: bonds (distance) C4'-P energy: -169.943 bonds (distance) P-C4' energy: -180.618 flat angles C4'-P-C4' energy: -188.640 flat angles P-C4'-P energy: -104.215 tors. eta vs tors. theta energy: -147.215 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: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2127.238133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.238133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.238133 (E_RNA) where: Base-Base interactions energy: -1337.894 where: short stacking energy: -589.500 Base-Backbone interact. energy: -1.900 local terms energy: -787.444075 where: bonds (distance) C4'-P energy: -169.227 bonds (distance) P-C4' energy: -178.300 flat angles C4'-P-C4' energy: -181.568 flat angles P-C4'-P energy: -127.842 tors. eta vs tors. theta energy: -130.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1695.979611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.979611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.979611 (E_RNA) where: Base-Base interactions energy: -989.395 where: short stacking energy: -493.044 Base-Backbone interact. energy: 3.134 local terms energy: -709.719305 where: bonds (distance) C4'-P energy: -159.742 bonds (distance) P-C4' energy: -166.155 flat angles C4'-P-C4' energy: -180.628 flat angles P-C4'-P energy: -108.334 tors. eta vs tors. theta energy: -94.860 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: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1774.467098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.467098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.467098 (E_RNA) where: Base-Base interactions energy: -1112.178 where: short stacking energy: -516.130 Base-Backbone interact. energy: -4.402 local terms energy: -657.886176 where: bonds (distance) C4'-P energy: -148.172 bonds (distance) P-C4' energy: -153.933 flat angles C4'-P-C4' energy: -154.938 flat angles P-C4'-P energy: -90.213 tors. eta vs tors. theta energy: -110.630 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: 7, replica: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1384.583664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.583664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.583664 (E_RNA) where: Base-Base interactions energy: -766.392 where: short stacking energy: -369.026 Base-Backbone interact. energy: -1.480 local terms energy: -616.711742 where: bonds (distance) C4'-P energy: -141.367 bonds (distance) P-C4' energy: -172.386 flat angles C4'-P-C4' energy: -159.913 flat angles P-C4'-P energy: -96.249 tors. eta vs tors. theta energy: -46.796 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: 8, replica: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -853.988460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.988460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.988460 (E_RNA) where: Base-Base interactions energy: -325.701 where: short stacking energy: -223.524 Base-Backbone interact. energy: 4.618 local terms energy: -532.905626 where: bonds (distance) C4'-P energy: -165.380 bonds (distance) P-C4' energy: -155.801 flat angles C4'-P-C4' energy: -126.775 flat angles P-C4'-P energy: -86.294 tors. eta vs tors. theta energy: 1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -816.804000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.804000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.804000 (E_RNA) where: Base-Base interactions energy: -332.521 where: short stacking energy: -228.779 Base-Backbone interact. energy: 1.387 local terms energy: -485.669775 where: bonds (distance) C4'-P energy: -161.375 bonds (distance) P-C4' energy: -159.737 flat angles C4'-P-C4' energy: -115.601 flat angles P-C4'-P energy: -76.204 tors. eta vs tors. theta energy: 27.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -725.916754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.916754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.916754 (E_RNA) where: Base-Base interactions energy: -281.779 where: short stacking energy: -193.213 Base-Backbone interact. energy: 0.779 local terms energy: -444.916826 where: bonds (distance) C4'-P energy: -117.096 bonds (distance) P-C4' energy: -167.406 flat angles C4'-P-C4' energy: -134.126 flat angles P-C4'-P energy: -77.594 tors. eta vs tors. theta energy: 51.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2648.210432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.210432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.210432 (E_RNA) where: Base-Base interactions energy: -1697.556 where: short stacking energy: -798.446 Base-Backbone interact. energy: -4.269 local terms energy: -946.385711 where: bonds (distance) C4'-P energy: -182.542 bonds (distance) P-C4' energy: -188.788 flat angles C4'-P-C4' energy: -197.211 flat angles P-C4'-P energy: -133.432 tors. eta vs tors. theta energy: -244.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2560.981055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.981055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.981055 (E_RNA) where: Base-Base interactions energy: -1677.448 where: short stacking energy: -750.315 Base-Backbone interact. energy: -0.045 local terms energy: -883.488470 where: bonds (distance) C4'-P energy: -153.261 bonds (distance) P-C4' energy: -194.935 flat angles C4'-P-C4' energy: -181.894 flat angles P-C4'-P energy: -126.255 tors. eta vs tors. theta energy: -227.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2185.865491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.865491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.865491 (E_RNA) where: Base-Base interactions energy: -1374.038 where: short stacking energy: -619.211 Base-Backbone interact. energy: -1.211 local terms energy: -810.616637 where: bonds (distance) C4'-P energy: -176.658 bonds (distance) P-C4' energy: -176.622 flat angles C4'-P-C4' energy: -183.018 flat angles P-C4'-P energy: -124.380 tors. eta vs tors. theta energy: -149.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2011.663297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.663297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.663297 (E_RNA) where: Base-Base interactions energy: -1211.452 where: short stacking energy: -543.398 Base-Backbone interact. energy: -0.495 local terms energy: -799.715839 where: bonds (distance) C4'-P energy: -171.991 bonds (distance) P-C4' energy: -182.249 flat angles C4'-P-C4' energy: -180.388 flat angles P-C4'-P energy: -119.562 tors. eta vs tors. theta energy: -145.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1739.286453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.286453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.286453 (E_RNA) where: Base-Base interactions energy: -1010.970 where: short stacking energy: -510.439 Base-Backbone interact. energy: -3.717 local terms energy: -724.599637 where: bonds (distance) C4'-P energy: -157.980 bonds (distance) P-C4' energy: -174.028 flat angles C4'-P-C4' energy: -178.489 flat angles P-C4'-P energy: -91.705 tors. eta vs tors. theta energy: -122.398 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: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1658.926460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.926460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.926460 (E_RNA) where: Base-Base interactions energy: -1005.135 where: short stacking energy: -457.899 Base-Backbone interact. energy: -3.834 local terms energy: -649.957100 where: bonds (distance) C4'-P energy: -138.957 bonds (distance) P-C4' energy: -172.260 flat angles C4'-P-C4' energy: -157.050 flat angles P-C4'-P energy: -99.679 tors. eta vs tors. theta energy: -82.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1378.359887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.359887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.359887 (E_RNA) where: Base-Base interactions energy: -800.074 where: short stacking energy: -386.739 Base-Backbone interact. energy: 2.755 local terms energy: -581.041091 where: bonds (distance) C4'-P energy: -149.109 bonds (distance) P-C4' energy: -164.610 flat angles C4'-P-C4' energy: -148.297 flat angles P-C4'-P energy: -74.521 tors. eta vs tors. theta energy: -44.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -863.503848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.503848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.503848 (E_RNA) where: Base-Base interactions energy: -368.005 where: short stacking energy: -234.807 Base-Backbone interact. energy: -2.772 local terms energy: -492.727242 where: bonds (distance) C4'-P energy: -116.335 bonds (distance) P-C4' energy: -149.028 flat angles C4'-P-C4' energy: -144.378 flat angles P-C4'-P energy: -103.880 tors. eta vs tors. theta energy: 20.894 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: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -859.965956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.965956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.965956 (E_RNA) where: Base-Base interactions energy: -374.757 where: short stacking energy: -244.790 Base-Backbone interact. energy: -1.420 local terms energy: -483.789922 where: bonds (distance) C4'-P energy: -145.391 bonds (distance) P-C4' energy: -164.800 flat angles C4'-P-C4' energy: -122.704 flat angles P-C4'-P energy: -61.242 tors. eta vs tors. theta energy: 10.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -676.144721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.144721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.144721 (E_RNA) where: Base-Base interactions energy: -261.663 where: short stacking energy: -203.475 Base-Backbone interact. energy: 6.692 local terms energy: -421.173114 where: bonds (distance) C4'-P energy: -149.615 bonds (distance) P-C4' energy: -156.170 flat angles C4'-P-C4' energy: -118.621 flat angles P-C4'-P energy: -34.309 tors. eta vs tors. theta energy: 37.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2650.911023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.911023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.911023 (E_RNA) where: Base-Base interactions energy: -1742.063 where: short stacking energy: -803.502 Base-Backbone interact. energy: -3.234 local terms energy: -905.613488 where: bonds (distance) C4'-P energy: -175.072 bonds (distance) P-C4' energy: -165.567 flat angles C4'-P-C4' energy: -212.314 flat angles P-C4'-P energy: -123.915 tors. eta vs tors. theta energy: -228.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2538.769623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.769623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.769623 (E_RNA) where: Base-Base interactions energy: -1659.863 where: short stacking energy: -750.103 Base-Backbone interact. energy: -3.331 local terms energy: -875.575196 where: bonds (distance) C4'-P energy: -162.636 bonds (distance) P-C4' energy: -173.996 flat angles C4'-P-C4' energy: -186.832 flat angles P-C4'-P energy: -139.378 tors. eta vs tors. theta energy: -212.734 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: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2217.612586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.612586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.612586 (E_RNA) where: Base-Base interactions energy: -1399.535 where: short stacking energy: -636.039 Base-Backbone interact. energy: -0.528 local terms energy: -817.549268 where: bonds (distance) C4'-P energy: -173.472 bonds (distance) P-C4' energy: -192.221 flat angles C4'-P-C4' energy: -185.772 flat angles P-C4'-P energy: -110.551 tors. eta vs tors. theta energy: -155.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1984.047065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.047065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.047065 (E_RNA) where: Base-Base interactions energy: -1229.231 where: short stacking energy: -587.494 Base-Backbone interact. energy: 3.097 local terms energy: -757.912326 where: bonds (distance) C4'-P energy: -148.027 bonds (distance) P-C4' energy: -188.938 flat angles C4'-P-C4' energy: -166.485 flat angles P-C4'-P energy: -110.433 tors. eta vs tors. theta energy: -144.028 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: 51 Temperature: 1.100000 Total energy: -1836.601296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.601296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.601296 (E_RNA) where: Base-Base interactions energy: -1090.017 where: short stacking energy: -526.865 Base-Backbone interact. energy: -2.393 local terms energy: -744.191648 where: bonds (distance) C4'-P energy: -166.605 bonds (distance) P-C4' energy: -180.882 flat angles C4'-P-C4' energy: -185.895 flat angles P-C4'-P energy: -110.212 tors. eta vs tors. theta energy: -100.597 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: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1750.974995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.974995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.974995 (E_RNA) where: Base-Base interactions energy: -1032.028 where: short stacking energy: -473.236 Base-Backbone interact. energy: -3.499 local terms energy: -715.447586 where: bonds (distance) C4'-P energy: -157.918 bonds (distance) P-C4' energy: -170.707 flat angles C4'-P-C4' energy: -170.247 flat angles P-C4'-P energy: -106.865 tors. eta vs tors. theta energy: -109.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1363.245957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.245957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.245957 (E_RNA) where: Base-Base interactions energy: -789.467 where: short stacking energy: -362.545 Base-Backbone interact. energy: -4.840 local terms energy: -568.939002 where: bonds (distance) C4'-P energy: -152.960 bonds (distance) P-C4' energy: -160.698 flat angles C4'-P-C4' energy: -122.410 flat angles P-C4'-P energy: -94.089 tors. eta vs tors. theta energy: -38.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -901.115046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.115046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.115046 (E_RNA) where: Base-Base interactions energy: -352.861 where: short stacking energy: -240.559 Base-Backbone interact. energy: 4.137 local terms energy: -552.391200 where: bonds (distance) C4'-P energy: -157.295 bonds (distance) P-C4' energy: -153.306 flat angles C4'-P-C4' energy: -140.997 flat angles P-C4'-P energy: -99.896 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -818.583560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.583560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.583560 (E_RNA) where: Base-Base interactions energy: -342.852 where: short stacking energy: -234.198 Base-Backbone interact. energy: 0.276 local terms energy: -476.007239 where: bonds (distance) C4'-P energy: -153.230 bonds (distance) P-C4' energy: -151.523 flat angles C4'-P-C4' energy: -119.268 flat angles P-C4'-P energy: -77.905 tors. eta vs tors. theta energy: 25.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -639.513775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.513775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.513775 (E_RNA) where: Base-Base interactions energy: -172.954 where: short stacking energy: -135.175 Base-Backbone interact. energy: 2.838 local terms energy: -469.398035 where: bonds (distance) C4'-P energy: -146.625 bonds (distance) P-C4' energy: -162.052 flat angles C4'-P-C4' energy: -116.742 flat angles P-C4'-P energy: -76.195 tors. eta vs tors. theta energy: 32.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2630.675440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.675440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.675440 (E_RNA) where: Base-Base interactions energy: -1712.519 where: short stacking energy: -758.694 Base-Backbone interact. energy: 2.469 local terms energy: -920.624890 where: bonds (distance) C4'-P energy: -193.160 bonds (distance) P-C4' energy: -195.960 flat angles C4'-P-C4' energy: -196.756 flat angles P-C4'-P energy: -112.277 tors. eta vs tors. theta energy: -222.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2542.718068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.718068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.718068 (E_RNA) where: Base-Base interactions energy: -1632.810 where: short stacking energy: -754.856 Base-Backbone interact. energy: -5.403 local terms energy: -904.504375 where: bonds (distance) C4'-P energy: -184.570 bonds (distance) P-C4' energy: -169.851 flat angles C4'-P-C4' energy: -198.991 flat angles P-C4'-P energy: -135.589 tors. eta vs tors. theta energy: -215.503 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: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2297.988295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.988295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.988295 (E_RNA) where: Base-Base interactions energy: -1494.463 where: short stacking energy: -663.046 Base-Backbone interact. energy: -2.815 local terms energy: -800.710926 where: bonds (distance) C4'-P energy: -172.598 bonds (distance) P-C4' energy: -158.156 flat angles C4'-P-C4' energy: -185.326 flat angles P-C4'-P energy: -118.416 tors. eta vs tors. theta energy: -166.215 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: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2005.031650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.031650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.031650 (E_RNA) where: Base-Base interactions energy: -1252.204 where: short stacking energy: -586.094 Base-Backbone interact. energy: -7.711 local terms energy: -745.115959 where: bonds (distance) C4'-P energy: -148.487 bonds (distance) P-C4' energy: -176.569 flat angles C4'-P-C4' energy: -163.509 flat angles P-C4'-P energy: -98.164 tors. eta vs tors. theta energy: -158.387 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: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1757.711036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.711036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.711036 (E_RNA) where: Base-Base interactions energy: -1058.438 where: short stacking energy: -507.524 Base-Backbone interact. energy: -1.067 local terms energy: -698.206787 where: bonds (distance) C4'-P energy: -173.098 bonds (distance) P-C4' energy: -158.944 flat angles C4'-P-C4' energy: -171.334 flat angles P-C4'-P energy: -92.297 tors. eta vs tors. theta energy: -102.534 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: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1758.583549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.583549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.583549 (E_RNA) where: Base-Base interactions energy: -1074.930 where: short stacking energy: -506.220 Base-Backbone interact. energy: 0.313 local terms energy: -683.967041 where: bonds (distance) C4'-P energy: -146.085 bonds (distance) P-C4' energy: -151.771 flat angles C4'-P-C4' energy: -169.233 flat angles P-C4'-P energy: -113.162 tors. eta vs tors. theta energy: -103.715 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: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1456.372629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.372629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.372629 (E_RNA) where: Base-Base interactions energy: -864.052 where: short stacking energy: -420.762 Base-Backbone interact. energy: 1.763 local terms energy: -594.084302 where: bonds (distance) C4'-P energy: -138.027 bonds (distance) P-C4' energy: -137.483 flat angles C4'-P-C4' energy: -144.617 flat angles P-C4'-P energy: -120.358 tors. eta vs tors. theta energy: -53.600 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: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -908.196681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.196681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.196681 (E_RNA) where: Base-Base interactions energy: -418.252 where: short stacking energy: -249.670 Base-Backbone interact. energy: 4.809 local terms energy: -494.754024 where: bonds (distance) C4'-P energy: -147.636 bonds (distance) P-C4' energy: -153.174 flat angles C4'-P-C4' energy: -118.441 flat angles P-C4'-P energy: -82.363 tors. eta vs tors. theta energy: 6.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -834.003178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.003178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.003178 (E_RNA) where: Base-Base interactions energy: -351.491 where: short stacking energy: -227.314 Base-Backbone interact. energy: -0.640 local terms energy: -481.872135 where: bonds (distance) C4'-P energy: -159.110 bonds (distance) P-C4' energy: -147.595 flat angles C4'-P-C4' energy: -126.746 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: 21.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -695.330072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.330072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.330072 (E_RNA) where: Base-Base interactions energy: -249.620 where: short stacking energy: -198.280 Base-Backbone interact. energy: 4.030 local terms energy: -449.741033 where: bonds (distance) C4'-P energy: -144.193 bonds (distance) P-C4' energy: -153.202 flat angles C4'-P-C4' energy: -126.148 flat angles P-C4'-P energy: -48.078 tors. eta vs tors. theta energy: 21.880 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: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2660.232259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.232259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.232259 (E_RNA) where: Base-Base interactions energy: -1736.567 where: short stacking energy: -775.465 Base-Backbone interact. energy: 6.589 local terms energy: -930.254347 where: bonds (distance) C4'-P energy: -179.885 bonds (distance) P-C4' energy: -188.470 flat angles C4'-P-C4' energy: -209.580 flat angles P-C4'-P energy: -129.363 tors. eta vs tors. theta energy: -222.957 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: 9 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2518.782047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.782047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.782047 (E_RNA) where: Base-Base interactions energy: -1622.998 where: short stacking energy: -750.035 Base-Backbone interact. energy: -4.790 local terms energy: -890.994118 where: bonds (distance) C4'-P energy: -179.779 bonds (distance) P-C4' energy: -178.964 flat angles C4'-P-C4' energy: -201.021 flat angles P-C4'-P energy: -124.781 tors. eta vs tors. theta energy: -206.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2375.775568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.775568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.775568 (E_RNA) where: Base-Base interactions energy: -1542.565 where: short stacking energy: -717.017 Base-Backbone interact. energy: 2.488 local terms energy: -835.698146 where: bonds (distance) C4'-P energy: -158.772 bonds (distance) P-C4' energy: -166.141 flat angles C4'-P-C4' energy: -191.084 flat angles P-C4'-P energy: -126.663 tors. eta vs tors. theta energy: -193.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2027.296137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.296137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.296137 (E_RNA) where: Base-Base interactions energy: -1246.593 where: short stacking energy: -575.616 Base-Backbone interact. energy: 2.867 local terms energy: -783.570233 where: bonds (distance) C4'-P energy: -157.485 bonds (distance) P-C4' energy: -167.112 flat angles C4'-P-C4' energy: -204.045 flat angles P-C4'-P energy: -118.542 tors. eta vs tors. theta energy: -136.387 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: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1759.163796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.163796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.163796 (E_RNA) where: Base-Base interactions energy: -1077.843 where: short stacking energy: -482.782 Base-Backbone interact. energy: -2.695 local terms energy: -678.626308 where: bonds (distance) C4'-P energy: -159.776 bonds (distance) P-C4' energy: -155.425 flat angles C4'-P-C4' energy: -162.354 flat angles P-C4'-P energy: -106.624 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: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1804.793255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.793255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.793255 (E_RNA) where: Base-Base interactions energy: -1116.991 where: short stacking energy: -507.864 Base-Backbone interact. energy: -0.204 local terms energy: -687.598059 where: bonds (distance) C4'-P energy: -138.992 bonds (distance) P-C4' energy: -169.629 flat angles C4'-P-C4' energy: -151.612 flat angles P-C4'-P energy: -103.548 tors. eta vs tors. theta energy: -123.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1435.964799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.964799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.964799 (E_RNA) where: Base-Base interactions energy: -817.139 where: short stacking energy: -389.399 Base-Backbone interact. energy: -4.109 local terms energy: -614.716975 where: bonds (distance) C4'-P energy: -144.236 bonds (distance) P-C4' energy: -166.066 flat angles C4'-P-C4' energy: -138.979 flat angles P-C4'-P energy: -108.059 tors. eta vs tors. theta energy: -57.377 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: 53 Temperature: 1.250000 Total energy: -908.011393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.011393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.011393 (E_RNA) where: Base-Base interactions energy: -401.545 where: short stacking energy: -225.041 Base-Backbone interact. energy: 1.733 local terms energy: -508.199513 where: bonds (distance) C4'-P energy: -142.474 bonds (distance) P-C4' energy: -170.218 flat angles C4'-P-C4' energy: -135.759 flat angles P-C4'-P energy: -72.941 tors. eta vs tors. theta energy: 13.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -850.910982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.910982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.910982 (E_RNA) where: Base-Base interactions energy: -402.651 where: short stacking energy: -248.830 Base-Backbone interact. energy: 3.806 local terms energy: -452.065948 where: bonds (distance) C4'-P energy: -152.694 bonds (distance) P-C4' energy: -143.904 flat angles C4'-P-C4' energy: -112.451 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: 12.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -730.562784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.562784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.562784 (E_RNA) where: Base-Base interactions energy: -275.773 where: short stacking energy: -191.610 Base-Backbone interact. energy: -3.768 local terms energy: -451.021412 where: bonds (distance) C4'-P energy: -132.815 bonds (distance) P-C4' energy: -157.988 flat angles C4'-P-C4' energy: -134.204 flat angles P-C4'-P energy: -50.639 tors. eta vs tors. theta energy: 24.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2697.616928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.616928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.616928 (E_RNA) where: Base-Base interactions energy: -1766.306 where: short stacking energy: -800.617 Base-Backbone interact. energy: -1.369 local terms energy: -929.941376 where: bonds (distance) C4'-P energy: -170.363 bonds (distance) P-C4' energy: -192.004 flat angles C4'-P-C4' energy: -197.624 flat angles P-C4'-P energy: -132.122 tors. eta vs tors. theta energy: -237.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2487.962736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.962736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.962736 (E_RNA) where: Base-Base interactions energy: -1629.996 where: short stacking energy: -742.652 Base-Backbone interact. energy: -1.724 local terms energy: -856.243118 where: bonds (distance) C4'-P energy: -162.251 bonds (distance) P-C4' energy: -170.177 flat angles C4'-P-C4' energy: -174.389 flat angles P-C4'-P energy: -130.485 tors. eta vs tors. theta energy: -218.940 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: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2383.211511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.211511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.211511 (E_RNA) where: Base-Base interactions energy: -1528.285 where: short stacking energy: -694.182 Base-Backbone interact. energy: 0.475 local terms energy: -855.402216 where: bonds (distance) C4'-P energy: -179.446 bonds (distance) P-C4' energy: -158.664 flat angles C4'-P-C4' energy: -208.508 flat angles P-C4'-P energy: -124.945 tors. eta vs tors. theta energy: -183.839 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: 4, replica: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1906.251520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.251520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.251520 (E_RNA) where: Base-Base interactions energy: -1164.691 where: short stacking energy: -558.339 Base-Backbone interact. energy: 2.816 local terms energy: -744.375976 where: bonds (distance) C4'-P energy: -162.591 bonds (distance) P-C4' energy: -169.485 flat angles C4'-P-C4' energy: -185.636 flat angles P-C4'-P energy: -97.091 tors. eta vs tors. theta energy: -129.573 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: 54 Temperature: 1.100000 Total energy: -1939.061540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.061540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.061540 (E_RNA) where: Base-Base interactions energy: -1169.571 where: short stacking energy: -539.935 Base-Backbone interact. energy: -3.588 local terms energy: -765.902294 where: bonds (distance) C4'-P energy: -161.442 bonds (distance) P-C4' energy: -178.116 flat angles C4'-P-C4' energy: -185.189 flat angles P-C4'-P energy: -110.090 tors. eta vs tors. theta energy: -131.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1783.008711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.008711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.008711 (E_RNA) where: Base-Base interactions energy: -1096.741 where: short stacking energy: -520.105 Base-Backbone interact. energy: 8.090 local terms energy: -694.356911 where: bonds (distance) C4'-P energy: -179.517 bonds (distance) P-C4' energy: -148.942 flat angles C4'-P-C4' energy: -169.881 flat angles P-C4'-P energy: -77.793 tors. eta vs tors. theta energy: -118.224 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: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1457.890949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.890949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.890949 (E_RNA) where: Base-Base interactions energy: -846.114 where: short stacking energy: -426.314 Base-Backbone interact. energy: -4.968 local terms energy: -606.809227 where: bonds (distance) C4'-P energy: -151.820 bonds (distance) P-C4' energy: -169.540 flat angles C4'-P-C4' energy: -150.569 flat angles P-C4'-P energy: -71.281 tors. eta vs tors. theta energy: -63.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -910.709154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.709154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.709154 (E_RNA) where: Base-Base interactions energy: -431.929 where: short stacking energy: -257.066 Base-Backbone interact. energy: 5.689 local terms energy: -484.468446 where: bonds (distance) C4'-P energy: -146.422 bonds (distance) P-C4' energy: -157.065 flat angles C4'-P-C4' energy: -127.097 flat angles P-C4'-P energy: -72.532 tors. eta vs tors. theta energy: 18.648 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: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -832.114985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.114985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.114985 (E_RNA) where: Base-Base interactions energy: -371.360 where: short stacking energy: -224.068 Base-Backbone interact. energy: 1.058 local terms energy: -461.812675 where: bonds (distance) C4'-P energy: -131.748 bonds (distance) P-C4' energy: -145.767 flat angles C4'-P-C4' energy: -136.492 flat angles P-C4'-P energy: -71.637 tors. eta vs tors. theta energy: 23.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -718.184657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.184657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.184657 (E_RNA) where: Base-Base interactions energy: -239.576 where: short stacking energy: -187.772 Base-Backbone interact. energy: -2.227 local terms energy: -476.381895 where: bonds (distance) C4'-P energy: -138.699 bonds (distance) P-C4' energy: -168.046 flat angles C4'-P-C4' energy: -133.785 flat angles P-C4'-P energy: -52.291 tors. eta vs tors. theta energy: 16.439 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: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2712.127846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.127846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.127846 (E_RNA) where: Base-Base interactions energy: -1755.172 where: short stacking energy: -769.538 Base-Backbone interact. energy: -4.757 local terms energy: -952.198612 where: bonds (distance) C4'-P energy: -189.821 bonds (distance) P-C4' energy: -192.813 flat angles C4'-P-C4' energy: -212.281 flat angles P-C4'-P energy: -126.819 tors. eta vs tors. theta energy: -230.466 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: 2, replica: 9 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2515.331247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.331247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.331247 (E_RNA) where: Base-Base interactions energy: -1629.519 where: short stacking energy: -731.341 Base-Backbone interact. energy: -5.156 local terms energy: -880.655760 where: bonds (distance) C4'-P energy: -177.293 bonds (distance) P-C4' energy: -171.294 flat angles C4'-P-C4' energy: -201.521 flat angles P-C4'-P energy: -117.595 tors. eta vs tors. theta energy: -212.952 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: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2335.991468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.991468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.991468 (E_RNA) where: Base-Base interactions energy: -1531.444 where: short stacking energy: -702.517 Base-Backbone interact. energy: -0.962 local terms energy: -803.584528 where: bonds (distance) C4'-P energy: -176.226 bonds (distance) P-C4' energy: -169.296 flat angles C4'-P-C4' energy: -174.722 flat angles P-C4'-P energy: -106.796 tors. eta vs tors. theta energy: -176.544 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: 6 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2090.675486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.675486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.675486 (E_RNA) where: Base-Base interactions energy: -1323.930 where: short stacking energy: -605.972 Base-Backbone interact. energy: -1.261 local terms energy: -765.484947 where: bonds (distance) C4'-P energy: -143.015 bonds (distance) P-C4' energy: -153.708 flat angles C4'-P-C4' energy: -190.135 flat angles P-C4'-P energy: -118.240 tors. eta vs tors. theta energy: -160.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1848.174122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.174122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.174122 (E_RNA) where: Base-Base interactions energy: -1159.039 where: short stacking energy: -526.911 Base-Backbone interact. energy: -1.406 local terms energy: -687.729350 where: bonds (distance) C4'-P energy: -156.003 bonds (distance) P-C4' energy: -176.641 flat angles C4'-P-C4' energy: -153.079 flat angles P-C4'-P energy: -78.782 tors. eta vs tors. theta energy: -123.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1720.217183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.217183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.217183 (E_RNA) where: Base-Base interactions energy: -1026.510 where: short stacking energy: -497.570 Base-Backbone interact. energy: -3.138 local terms energy: -690.569323 where: bonds (distance) C4'-P energy: -152.551 bonds (distance) P-C4' energy: -150.504 flat angles C4'-P-C4' energy: -171.074 flat angles P-C4'-P energy: -111.167 tors. eta vs tors. theta energy: -105.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1431.177476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.177476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.177476 (E_RNA) where: Base-Base interactions energy: -828.864 where: short stacking energy: -393.588 Base-Backbone interact. energy: 1.772 local terms energy: -604.085560 where: bonds (distance) C4'-P energy: -160.503 bonds (distance) P-C4' energy: -151.592 flat angles C4'-P-C4' energy: -161.670 flat angles P-C4'-P energy: -90.614 tors. eta vs tors. theta energy: -39.706 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: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -884.018143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.018143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.018143 (E_RNA) where: Base-Base interactions energy: -352.871 where: short stacking energy: -205.322 Base-Backbone interact. energy: 1.511 local terms energy: -532.658355 where: bonds (distance) C4'-P energy: -159.177 bonds (distance) P-C4' energy: -165.835 flat angles C4'-P-C4' energy: -147.346 flat angles P-C4'-P energy: -80.173 tors. eta vs tors. theta energy: 19.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -837.736063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.736063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.736063 (E_RNA) where: Base-Base interactions energy: -361.952 where: short stacking energy: -224.201 Base-Backbone interact. energy: -1.190 local terms energy: -474.593135 where: bonds (distance) C4'-P energy: -150.085 bonds (distance) P-C4' energy: -161.171 flat angles C4'-P-C4' energy: -114.571 flat angles P-C4'-P energy: -67.404 tors. eta vs tors. theta energy: 18.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -707.931150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.931150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.931150 (E_RNA) where: Base-Base interactions energy: -247.484 where: short stacking energy: -196.534 Base-Backbone interact. energy: -0.435 local terms energy: -460.012883 where: bonds (distance) C4'-P energy: -128.636 bonds (distance) P-C4' energy: -167.600 flat angles C4'-P-C4' energy: -108.124 flat angles P-C4'-P energy: -74.652 tors. eta vs tors. theta energy: 18.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2645.670074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.670074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.670074 (E_RNA) where: Base-Base interactions energy: -1711.441 where: short stacking energy: -768.275 Base-Backbone interact. energy: -4.612 local terms energy: -929.616781 where: bonds (distance) C4'-P energy: -172.502 bonds (distance) P-C4' energy: -188.360 flat angles C4'-P-C4' energy: -197.740 flat angles P-C4'-P energy: -139.019 tors. eta vs tors. theta energy: -231.995 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: 2, replica: 9 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2545.785591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.785591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.785591 (E_RNA) where: Base-Base interactions energy: -1632.659 where: short stacking energy: -754.922 Base-Backbone interact. energy: -1.312 local terms energy: -911.814714 where: bonds (distance) C4'-P energy: -180.707 bonds (distance) P-C4' energy: -193.291 flat angles C4'-P-C4' energy: -191.605 flat angles P-C4'-P energy: -122.091 tors. eta vs tors. theta energy: -224.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2298.736466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.736466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.736466 (E_RNA) where: Base-Base interactions energy: -1466.809 where: short stacking energy: -661.294 Base-Backbone interact. energy: -2.100 local terms energy: -829.827958 where: bonds (distance) C4'-P energy: -176.061 bonds (distance) P-C4' energy: -181.616 flat angles C4'-P-C4' energy: -179.411 flat angles P-C4'-P energy: -118.862 tors. eta vs tors. theta energy: -173.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2079.914778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.914778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.914778 (E_RNA) where: Base-Base interactions energy: -1272.298 where: short stacking energy: -592.439 Base-Backbone interact. energy: -4.190 local terms energy: -803.427306 where: bonds (distance) C4'-P energy: -170.020 bonds (distance) P-C4' energy: -198.160 flat angles C4'-P-C4' energy: -176.683 flat angles P-C4'-P energy: -107.052 tors. eta vs tors. theta energy: -151.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1840.847085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.847085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.847085 (E_RNA) where: Base-Base interactions energy: -1134.188 where: short stacking energy: -543.909 Base-Backbone interact. energy: 0.597 local terms energy: -707.255803 where: bonds (distance) C4'-P energy: -158.519 bonds (distance) P-C4' energy: -143.147 flat angles C4'-P-C4' energy: -177.092 flat angles P-C4'-P energy: -111.306 tors. eta vs tors. theta energy: -117.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1732.947700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.947700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.947700 (E_RNA) where: Base-Base interactions energy: -1031.179 where: short stacking energy: -507.543 Base-Backbone interact. energy: -2.300 local terms energy: -699.469081 where: bonds (distance) C4'-P energy: -145.675 bonds (distance) P-C4' energy: -181.835 flat angles C4'-P-C4' energy: -168.822 flat angles P-C4'-P energy: -98.963 tors. eta vs tors. theta energy: -104.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1448.901157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.901157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.901157 (E_RNA) where: Base-Base interactions energy: -815.971 where: short stacking energy: -414.629 Base-Backbone interact. energy: -3.655 local terms energy: -629.275773 where: bonds (distance) C4'-P energy: -146.048 bonds (distance) P-C4' energy: -167.122 flat angles C4'-P-C4' energy: -160.787 flat angles P-C4'-P energy: -89.050 tors. eta vs tors. theta energy: -66.269 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: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -878.491535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.491535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.491535 (E_RNA) where: Base-Base interactions energy: -359.540 where: short stacking energy: -232.045 Base-Backbone interact. energy: 0.591 local terms energy: -519.541967 where: bonds (distance) C4'-P energy: -155.133 bonds (distance) P-C4' energy: -182.689 flat angles C4'-P-C4' energy: -144.946 flat angles P-C4'-P energy: -58.491 tors. eta vs tors. theta energy: 21.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -865.903535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.903535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.903535 (E_RNA) where: Base-Base interactions energy: -377.279 where: short stacking energy: -222.527 Base-Backbone interact. energy: 0.778 local terms energy: -489.402795 where: bonds (distance) C4'-P energy: -134.751 bonds (distance) P-C4' energy: -156.976 flat angles C4'-P-C4' energy: -143.054 flat angles P-C4'-P energy: -58.601 tors. eta vs tors. theta energy: 3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -659.996746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.996746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.996746 (E_RNA) where: Base-Base interactions energy: -175.911 where: short stacking energy: -128.964 Base-Backbone interact. energy: 0.027 local terms energy: -484.112890 where: bonds (distance) C4'-P energy: -169.459 bonds (distance) P-C4' energy: -145.231 flat angles C4'-P-C4' energy: -124.060 flat angles P-C4'-P energy: -89.671 tors. eta vs tors. theta energy: 44.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2708.819019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.819019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.819019 (E_RNA) where: Base-Base interactions energy: -1769.914 where: short stacking energy: -808.924 Base-Backbone interact. energy: -1.935 local terms energy: -936.969656 where: bonds (distance) C4'-P energy: -187.254 bonds (distance) P-C4' energy: -171.575 flat angles C4'-P-C4' energy: -210.532 flat angles P-C4'-P energy: -136.133 tors. eta vs tors. theta energy: -231.475 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: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2598.768560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.768560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.768560 (E_RNA) where: Base-Base interactions energy: -1694.261 where: short stacking energy: -790.646 Base-Backbone interact. energy: -4.559 local terms energy: -899.947952 where: bonds (distance) C4'-P energy: -175.727 bonds (distance) P-C4' energy: -174.021 flat angles C4'-P-C4' energy: -191.029 flat angles P-C4'-P energy: -128.689 tors. eta vs tors. theta energy: -230.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2257.382643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.382643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.382643 (E_RNA) where: Base-Base interactions energy: -1436.705 where: short stacking energy: -673.412 Base-Backbone interact. energy: 7.708 local terms energy: -828.385130 where: bonds (distance) C4'-P energy: -168.338 bonds (distance) P-C4' energy: -177.378 flat angles C4'-P-C4' energy: -175.027 flat angles P-C4'-P energy: -135.024 tors. eta vs tors. theta energy: -172.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2060.657890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.657890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.657890 (E_RNA) where: Base-Base interactions energy: -1272.394 where: short stacking energy: -597.430 Base-Backbone interact. energy: -1.601 local terms energy: -786.662259 where: bonds (distance) C4'-P energy: -147.758 bonds (distance) P-C4' energy: -176.001 flat angles C4'-P-C4' energy: -192.592 flat angles P-C4'-P energy: -125.804 tors. eta vs tors. theta energy: -144.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1862.436141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.436141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.436141 (E_RNA) where: Base-Base interactions energy: -1138.437 where: short stacking energy: -500.241 Base-Backbone interact. energy: 1.109 local terms energy: -725.108708 where: bonds (distance) C4'-P energy: -161.295 bonds (distance) P-C4' energy: -182.996 flat angles C4'-P-C4' energy: -177.243 flat angles P-C4'-P energy: -108.652 tors. eta vs tors. theta energy: -94.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1734.982232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.982232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.982232 (E_RNA) where: Base-Base interactions energy: -1048.216 where: short stacking energy: -507.995 Base-Backbone interact. energy: -3.080 local terms energy: -683.686180 where: bonds (distance) C4'-P energy: -151.180 bonds (distance) P-C4' energy: -176.005 flat angles C4'-P-C4' energy: -170.769 flat angles P-C4'-P energy: -75.210 tors. eta vs tors. theta energy: -110.522 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: 7, replica: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1436.479151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.479151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.479151 (E_RNA) where: Base-Base interactions energy: -803.776 where: short stacking energy: -378.542 Base-Backbone interact. energy: 1.996 local terms energy: -634.699239 where: bonds (distance) C4'-P energy: -168.725 bonds (distance) P-C4' energy: -141.024 flat angles C4'-P-C4' energy: -159.039 flat angles P-C4'-P energy: -95.031 tors. eta vs tors. theta energy: -70.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -922.369393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.369393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.369393 (E_RNA) where: Base-Base interactions energy: -408.977 where: short stacking energy: -267.700 Base-Backbone interact. energy: -4.451 local terms energy: -508.940984 where: bonds (distance) C4'-P energy: -143.586 bonds (distance) P-C4' energy: -171.315 flat angles C4'-P-C4' energy: -124.129 flat angles P-C4'-P energy: -88.545 tors. eta vs tors. theta energy: 18.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -793.020509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.020509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.020509 (E_RNA) where: Base-Base interactions energy: -332.739 where: short stacking energy: -239.461 Base-Backbone interact. energy: 4.425 local terms energy: -464.706590 where: bonds (distance) C4'-P energy: -133.921 bonds (distance) P-C4' energy: -136.910 flat angles C4'-P-C4' energy: -139.460 flat angles P-C4'-P energy: -59.977 tors. eta vs tors. theta energy: 5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -622.347424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.347424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.347424 (E_RNA) where: Base-Base interactions energy: -230.373 where: short stacking energy: -144.439 Base-Backbone interact. energy: 3.734 local terms energy: -395.709212 where: bonds (distance) C4'-P energy: -130.129 bonds (distance) P-C4' energy: -161.612 flat angles C4'-P-C4' energy: -76.812 flat angles P-C4'-P energy: -85.113 tors. eta vs tors. theta energy: 57.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2683.757382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.757382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.757382 (E_RNA) where: Base-Base interactions energy: -1777.887 where: short stacking energy: -798.300 Base-Backbone interact. energy: 1.752 local terms energy: -907.621921 where: bonds (distance) C4'-P energy: -187.982 bonds (distance) P-C4' energy: -154.059 flat angles C4'-P-C4' energy: -206.921 flat angles P-C4'-P energy: -136.897 tors. eta vs tors. theta energy: -221.764 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: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2556.007886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.007886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.007886 (E_RNA) where: Base-Base interactions energy: -1632.038 where: short stacking energy: -741.067 Base-Backbone interact. energy: -2.811 local terms energy: -921.159207 where: bonds (distance) C4'-P energy: -186.479 bonds (distance) P-C4' energy: -178.420 flat angles C4'-P-C4' energy: -186.629 flat angles P-C4'-P energy: -133.967 tors. eta vs tors. theta energy: -235.664 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: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2278.333203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.333203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.333203 (E_RNA) where: Base-Base interactions energy: -1462.921 where: short stacking energy: -660.648 Base-Backbone interact. energy: 0.322 local terms energy: -815.733672 where: bonds (distance) C4'-P energy: -141.434 bonds (distance) P-C4' energy: -191.924 flat angles C4'-P-C4' energy: -194.718 flat angles P-C4'-P energy: -115.367 tors. eta vs tors. theta energy: -172.291 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: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2075.240155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.240155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.240155 (E_RNA) where: Base-Base interactions energy: -1300.210 where: short stacking energy: -611.598 Base-Backbone interact. energy: 0.470 local terms energy: -775.500042 where: bonds (distance) C4'-P energy: -161.601 bonds (distance) P-C4' energy: -149.944 flat angles C4'-P-C4' energy: -174.781 flat angles P-C4'-P energy: -130.958 tors. eta vs tors. theta energy: -158.216 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: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1817.308031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.308031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.308031 (E_RNA) where: Base-Base interactions energy: -1084.956 where: short stacking energy: -534.770 Base-Backbone interact. energy: -3.066 local terms energy: -729.286311 where: bonds (distance) C4'-P energy: -153.620 bonds (distance) P-C4' energy: -186.113 flat angles C4'-P-C4' energy: -164.500 flat angles P-C4'-P energy: -103.977 tors. eta vs tors. theta energy: -121.077 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: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1740.069126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.069126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.069126 (E_RNA) where: Base-Base interactions energy: -1042.221 where: short stacking energy: -494.108 Base-Backbone interact. energy: -3.155 local terms energy: -694.693748 where: bonds (distance) C4'-P energy: -153.046 bonds (distance) P-C4' energy: -180.665 flat angles C4'-P-C4' energy: -168.815 flat angles P-C4'-P energy: -95.508 tors. eta vs tors. theta energy: -96.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1433.754878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.754878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.754878 (E_RNA) where: Base-Base interactions energy: -851.583 where: short stacking energy: -383.483 Base-Backbone interact. energy: 5.613 local terms energy: -587.785150 where: bonds (distance) C4'-P energy: -131.841 bonds (distance) P-C4' energy: -180.467 flat angles C4'-P-C4' energy: -126.588 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -61.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -990.207759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.207759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.207759 (E_RNA) where: Base-Base interactions energy: -443.792 where: short stacking energy: -251.252 Base-Backbone interact. energy: 2.752 local terms energy: -549.168443 where: bonds (distance) C4'-P energy: -148.926 bonds (distance) P-C4' energy: -160.443 flat angles C4'-P-C4' energy: -144.451 flat angles P-C4'-P energy: -90.715 tors. eta vs tors. theta energy: -4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -774.608187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.608187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.608187 (E_RNA) where: Base-Base interactions energy: -333.867 where: short stacking energy: -182.095 Base-Backbone interact. energy: 5.409 local terms energy: -446.150294 where: bonds (distance) C4'-P energy: -134.344 bonds (distance) P-C4' energy: -154.499 flat angles C4'-P-C4' energy: -120.737 flat angles P-C4'-P energy: -73.984 tors. eta vs tors. theta energy: 37.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -698.449444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.449444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.449444 (E_RNA) where: Base-Base interactions energy: -221.793 where: short stacking energy: -164.112 Base-Backbone interact. energy: -2.373 local terms energy: -474.283976 where: bonds (distance) C4'-P energy: -156.854 bonds (distance) P-C4' energy: -154.041 flat angles C4'-P-C4' energy: -116.457 flat angles P-C4'-P energy: -79.427 tors. eta vs tors. theta energy: 32.495 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: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2705.118013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.118013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.118013 (E_RNA) where: Base-Base interactions energy: -1750.897 where: short stacking energy: -789.149 Base-Backbone interact. energy: -0.513 local terms energy: -953.708196 where: bonds (distance) C4'-P energy: -178.920 bonds (distance) P-C4' energy: -196.109 flat angles C4'-P-C4' energy: -215.248 flat angles P-C4'-P energy: -138.813 tors. eta vs tors. theta energy: -224.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2592.709163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.709163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.709163 (E_RNA) where: Base-Base interactions energy: -1679.080 where: short stacking energy: -742.052 Base-Backbone interact. energy: -1.044 local terms energy: -912.585143 where: bonds (distance) C4'-P energy: -171.536 bonds (distance) P-C4' energy: -188.023 flat angles C4'-P-C4' energy: -205.606 flat angles P-C4'-P energy: -124.469 tors. eta vs tors. theta energy: -222.952 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: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2293.992269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.992269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.992269 (E_RNA) where: Base-Base interactions energy: -1449.796 where: short stacking energy: -665.859 Base-Backbone interact. energy: -3.736 local terms energy: -840.460475 where: bonds (distance) C4'-P energy: -191.300 bonds (distance) P-C4' energy: -181.109 flat angles C4'-P-C4' energy: -193.967 flat angles P-C4'-P energy: -107.655 tors. eta vs tors. theta energy: -166.430 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: 59 Temperature: 1.050000 Total energy: -2145.916422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.916422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.916422 (E_RNA) where: Base-Base interactions energy: -1362.327 where: short stacking energy: -627.591 Base-Backbone interact. energy: -3.068 local terms energy: -780.521479 where: bonds (distance) C4'-P energy: -158.175 bonds (distance) P-C4' energy: -173.031 flat angles C4'-P-C4' energy: -182.686 flat angles P-C4'-P energy: -106.050 tors. eta vs tors. theta energy: -160.579 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: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1772.349055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.349055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.349055 (E_RNA) where: Base-Base interactions energy: -1051.611 where: short stacking energy: -486.645 Base-Backbone interact. energy: -4.950 local terms energy: -715.787958 where: bonds (distance) C4'-P energy: -148.563 bonds (distance) P-C4' energy: -173.995 flat angles C4'-P-C4' energy: -180.435 flat angles P-C4'-P energy: -91.251 tors. eta vs tors. theta energy: -121.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1683.959473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.959473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.959473 (E_RNA) where: Base-Base interactions energy: -998.774 where: short stacking energy: -464.765 Base-Backbone interact. energy: -0.825 local terms energy: -684.360760 where: bonds (distance) C4'-P energy: -165.438 bonds (distance) P-C4' energy: -173.499 flat angles C4'-P-C4' energy: -167.649 flat angles P-C4'-P energy: -82.699 tors. eta vs tors. theta energy: -95.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1454.451979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.451979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.451979 (E_RNA) where: Base-Base interactions energy: -849.775 where: short stacking energy: -427.039 Base-Backbone interact. energy: -4.865 local terms energy: -599.811735 where: bonds (distance) C4'-P energy: -145.926 bonds (distance) P-C4' energy: -145.221 flat angles C4'-P-C4' energy: -145.342 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -75.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -936.532198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.532198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.532198 (E_RNA) where: Base-Base interactions energy: -431.417 where: short stacking energy: -266.096 Base-Backbone interact. energy: -1.072 local terms energy: -504.042997 where: bonds (distance) C4'-P energy: -150.789 bonds (distance) P-C4' energy: -147.725 flat angles C4'-P-C4' energy: -141.579 flat angles P-C4'-P energy: -75.468 tors. eta vs tors. theta energy: 11.519 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: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -813.264282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.264282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.264282 (E_RNA) where: Base-Base interactions energy: -355.375 where: short stacking energy: -209.123 Base-Backbone interact. energy: 1.343 local terms energy: -459.232573 where: bonds (distance) C4'-P energy: -143.584 bonds (distance) P-C4' energy: -154.205 flat angles C4'-P-C4' energy: -122.669 flat angles P-C4'-P energy: -59.517 tors. eta vs tors. theta energy: 20.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -662.539052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.539052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.539052 (E_RNA) where: Base-Base interactions energy: -237.052 where: short stacking energy: -194.283 Base-Backbone interact. energy: 0.321 local terms energy: -425.808859 where: bonds (distance) C4'-P energy: -121.939 bonds (distance) P-C4' energy: -148.283 flat angles C4'-P-C4' energy: -113.810 flat angles P-C4'-P energy: -66.640 tors. eta vs tors. theta energy: 24.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2718.068077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.068077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.068077 (E_RNA) where: Base-Base interactions energy: -1773.398 where: short stacking energy: -821.406 Base-Backbone interact. energy: -1.644 local terms energy: -943.026795 where: bonds (distance) C4'-P energy: -191.945 bonds (distance) P-C4' energy: -172.189 flat angles C4'-P-C4' energy: -217.375 flat angles P-C4'-P energy: -132.107 tors. eta vs tors. theta energy: -229.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2565.358429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.358429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.358429 (E_RNA) where: Base-Base interactions energy: -1653.282 where: short stacking energy: -718.349 Base-Backbone interact. energy: -4.254 local terms energy: -907.822729 where: bonds (distance) C4'-P energy: -161.653 bonds (distance) P-C4' energy: -174.055 flat angles C4'-P-C4' energy: -199.239 flat angles P-C4'-P energy: -143.319 tors. eta vs tors. theta energy: -229.556 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: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2328.973590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.973590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.973590 (E_RNA) where: Base-Base interactions energy: -1504.025 where: short stacking energy: -649.034 Base-Backbone interact. energy: -0.108 local terms energy: -824.841336 where: bonds (distance) C4'-P energy: -174.153 bonds (distance) P-C4' energy: -183.883 flat angles C4'-P-C4' energy: -186.294 flat angles P-C4'-P energy: -106.209 tors. eta vs tors. theta energy: -174.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2168.106456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.106456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.106456 (E_RNA) where: Base-Base interactions energy: -1394.657 where: short stacking energy: -626.045 Base-Backbone interact. energy: 0.338 local terms energy: -773.787059 where: bonds (distance) C4'-P energy: -152.365 bonds (distance) P-C4' energy: -151.422 flat angles C4'-P-C4' energy: -180.359 flat angles P-C4'-P energy: -115.171 tors. eta vs tors. theta energy: -174.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1747.566345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.566345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.566345 (E_RNA) where: Base-Base interactions energy: -1022.792 where: short stacking energy: -513.623 Base-Backbone interact. energy: -1.267 local terms energy: -723.507351 where: bonds (distance) C4'-P energy: -167.117 bonds (distance) P-C4' energy: -164.510 flat angles C4'-P-C4' energy: -167.969 flat angles P-C4'-P energy: -89.351 tors. eta vs tors. theta energy: -134.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1707.619355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.619355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.619355 (E_RNA) where: Base-Base interactions energy: -1051.709 where: short stacking energy: -518.019 Base-Backbone interact. energy: 5.399 local terms energy: -661.309212 where: bonds (distance) C4'-P energy: -160.800 bonds (distance) P-C4' energy: -156.625 flat angles C4'-P-C4' energy: -153.556 flat angles P-C4'-P energy: -90.838 tors. eta vs tors. theta energy: -99.490 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: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1462.651657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.651657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.651657 (E_RNA) where: Base-Base interactions energy: -839.589 where: short stacking energy: -424.185 Base-Backbone interact. energy: 0.328 local terms energy: -623.390664 where: bonds (distance) C4'-P energy: -146.890 bonds (distance) P-C4' energy: -148.284 flat angles C4'-P-C4' energy: -156.879 flat angles P-C4'-P energy: -114.830 tors. eta vs tors. theta energy: -56.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -920.014551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.014551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.014551 (E_RNA) where: Base-Base interactions energy: -393.325 where: short stacking energy: -252.771 Base-Backbone interact. energy: -1.043 local terms energy: -525.646736 where: bonds (distance) C4'-P energy: -136.138 bonds (distance) P-C4' energy: -175.601 flat angles C4'-P-C4' energy: -136.292 flat angles P-C4'-P energy: -79.521 tors. eta vs tors. theta energy: 1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -831.466555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.466555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.466555 (E_RNA) where: Base-Base interactions energy: -336.264 where: short stacking energy: -197.408 Base-Backbone interact. energy: -4.508 local terms energy: -490.694197 where: bonds (distance) C4'-P energy: -138.553 bonds (distance) P-C4' energy: -151.432 flat angles C4'-P-C4' energy: -122.052 flat angles P-C4'-P energy: -82.199 tors. eta vs tors. theta energy: 3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -654.481539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.481539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.481539 (E_RNA) where: Base-Base interactions energy: -241.690 where: short stacking energy: -193.677 Base-Backbone interact. energy: 0.799 local terms energy: -413.591082 where: bonds (distance) C4'-P energy: -155.933 bonds (distance) P-C4' energy: -168.869 flat angles C4'-P-C4' energy: -109.636 flat angles P-C4'-P energy: -47.198 tors. eta vs tors. theta energy: 68.045 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: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2707.415613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.415613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.415613 (E_RNA) where: Base-Base interactions energy: -1754.324 where: short stacking energy: -826.604 Base-Backbone interact. energy: -0.047 local terms energy: -953.044790 where: bonds (distance) C4'-P energy: -187.110 bonds (distance) P-C4' energy: -197.021 flat angles C4'-P-C4' energy: -216.916 flat angles P-C4'-P energy: -119.145 tors. eta vs tors. theta energy: -232.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2575.744951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.744951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.744951 (E_RNA) where: Base-Base interactions energy: -1678.942 where: short stacking energy: -745.893 Base-Backbone interact. energy: -3.835 local terms energy: -892.968264 where: bonds (distance) C4'-P energy: -173.420 bonds (distance) P-C4' energy: -175.263 flat angles C4'-P-C4' energy: -196.055 flat angles P-C4'-P energy: -121.139 tors. eta vs tors. theta energy: -227.091 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: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2278.815714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.815714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.815714 (E_RNA) where: Base-Base interactions energy: -1460.826 where: short stacking energy: -634.995 Base-Backbone interact. energy: -0.040 local terms energy: -817.949831 where: bonds (distance) C4'-P energy: -166.182 bonds (distance) P-C4' energy: -185.285 flat angles C4'-P-C4' energy: -175.989 flat angles P-C4'-P energy: -127.810 tors. eta vs tors. theta energy: -162.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2185.696686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.696686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.696686 (E_RNA) where: Base-Base interactions energy: -1378.029 where: short stacking energy: -634.671 Base-Backbone interact. energy: -0.302 local terms energy: -807.365560 where: bonds (distance) C4'-P energy: -166.363 bonds (distance) P-C4' energy: -157.737 flat angles C4'-P-C4' energy: -190.341 flat angles P-C4'-P energy: -122.762 tors. eta vs tors. theta energy: -170.162 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: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1771.741622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.741622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.741622 (E_RNA) where: Base-Base interactions energy: -1063.077 where: short stacking energy: -504.604 Base-Backbone interact. energy: -0.906 local terms energy: -707.758751 where: bonds (distance) C4'-P energy: -159.998 bonds (distance) P-C4' energy: -163.550 flat angles C4'-P-C4' energy: -170.096 flat angles P-C4'-P energy: -109.125 tors. eta vs tors. theta energy: -104.990 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: 61 Temperature: 1.150000 Total energy: -1743.322089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.322089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.322089 (E_RNA) where: Base-Base interactions energy: -1078.768 where: short stacking energy: -514.548 Base-Backbone interact. energy: 0.246 local terms energy: -664.800796 where: bonds (distance) C4'-P energy: -138.544 bonds (distance) P-C4' energy: -172.099 flat angles C4'-P-C4' energy: -143.793 flat angles P-C4'-P energy: -99.198 tors. eta vs tors. theta energy: -111.166 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: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1484.404946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.404946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.404946 (E_RNA) where: Base-Base interactions energy: -842.315 where: short stacking energy: -404.170 Base-Backbone interact. energy: -0.560 local terms energy: -641.529059 where: bonds (distance) C4'-P energy: -154.014 bonds (distance) P-C4' energy: -150.570 flat angles C4'-P-C4' energy: -170.777 flat angles P-C4'-P energy: -100.967 tors. eta vs tors. theta energy: -65.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -900.513342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.513342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.513342 (E_RNA) where: Base-Base interactions energy: -389.509 where: short stacking energy: -237.387 Base-Backbone interact. energy: -0.507 local terms energy: -510.497470 where: bonds (distance) C4'-P energy: -160.045 bonds (distance) P-C4' energy: -160.532 flat angles C4'-P-C4' energy: -134.687 flat angles P-C4'-P energy: -73.176 tors. eta vs tors. theta energy: 17.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -828.130819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.130819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.130819 (E_RNA) where: Base-Base interactions energy: -323.365 where: short stacking energy: -217.373 Base-Backbone interact. energy: 5.115 local terms energy: -509.880757 where: bonds (distance) C4'-P energy: -149.472 bonds (distance) P-C4' energy: -145.464 flat angles C4'-P-C4' energy: -122.463 flat angles P-C4'-P energy: -102.352 tors. eta vs tors. theta energy: 9.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -675.141048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.141048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.141048 (E_RNA) where: Base-Base interactions energy: -259.049 where: short stacking energy: -175.616 Base-Backbone interact. energy: 6.972 local terms energy: -423.063432 where: bonds (distance) C4'-P energy: -126.596 bonds (distance) P-C4' energy: -167.822 flat angles C4'-P-C4' energy: -108.103 flat angles P-C4'-P energy: -56.038 tors. eta vs tors. theta energy: 35.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2666.205282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.205282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.205282 (E_RNA) where: Base-Base interactions energy: -1755.766 where: short stacking energy: -815.903 Base-Backbone interact. energy: -2.850 local terms energy: -907.589513 where: bonds (distance) C4'-P energy: -161.227 bonds (distance) P-C4' energy: -188.006 flat angles C4'-P-C4' energy: -202.188 flat angles P-C4'-P energy: -124.341 tors. eta vs tors. theta energy: -231.828 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: 62 Temperature: 0.950000 Total energy: -2589.454527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.454527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.454527 (E_RNA) where: Base-Base interactions energy: -1687.068 where: short stacking energy: -738.604 Base-Backbone interact. energy: -5.266 local terms energy: -897.120181 where: bonds (distance) C4'-P energy: -185.686 bonds (distance) P-C4' energy: -168.879 flat angles C4'-P-C4' energy: -176.821 flat angles P-C4'-P energy: -151.038 tors. eta vs tors. theta energy: -214.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2318.412904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.412904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.412904 (E_RNA) where: Base-Base interactions energy: -1464.822 where: short stacking energy: -627.209 Base-Backbone interact. energy: 1.487 local terms energy: -855.078055 where: bonds (distance) C4'-P energy: -186.350 bonds (distance) P-C4' energy: -183.188 flat angles C4'-P-C4' energy: -181.580 flat angles P-C4'-P energy: -131.890 tors. eta vs tors. theta energy: -172.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2244.784133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.784133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.784133 (E_RNA) where: Base-Base interactions energy: -1422.250 where: short stacking energy: -651.676 Base-Backbone interact. energy: -0.958 local terms energy: -821.575509 where: bonds (distance) C4'-P energy: -179.627 bonds (distance) P-C4' energy: -174.683 flat angles C4'-P-C4' energy: -176.307 flat angles P-C4'-P energy: -117.461 tors. eta vs tors. theta energy: -173.498 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: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1787.840500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.840500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.840500 (E_RNA) where: Base-Base interactions energy: -1054.959 where: short stacking energy: -513.169 Base-Backbone interact. energy: -0.079 local terms energy: -732.801634 where: bonds (distance) C4'-P energy: -169.335 bonds (distance) P-C4' energy: -169.453 flat angles C4'-P-C4' energy: -155.074 flat angles P-C4'-P energy: -113.829 tors. eta vs tors. theta energy: -125.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1711.529292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.529292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.529292 (E_RNA) where: Base-Base interactions energy: -1037.627 where: short stacking energy: -484.231 Base-Backbone interact. energy: 0.886 local terms energy: -674.787785 where: bonds (distance) C4'-P energy: -173.085 bonds (distance) P-C4' energy: -162.884 flat angles C4'-P-C4' energy: -142.284 flat angles P-C4'-P energy: -100.640 tors. eta vs tors. theta energy: -95.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1523.666051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.666051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.666051 (E_RNA) where: Base-Base interactions energy: -864.141 where: short stacking energy: -421.719 Base-Backbone interact. energy: -2.756 local terms energy: -656.769164 where: bonds (distance) C4'-P energy: -157.133 bonds (distance) P-C4' energy: -162.494 flat angles C4'-P-C4' energy: -181.188 flat angles P-C4'-P energy: -85.985 tors. eta vs tors. theta energy: -69.970 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: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -981.512544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.512544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.512544 (E_RNA) where: Base-Base interactions energy: -473.523 where: short stacking energy: -263.193 Base-Backbone interact. energy: 5.413 local terms energy: -513.402808 where: bonds (distance) C4'-P energy: -138.269 bonds (distance) P-C4' energy: -165.299 flat angles C4'-P-C4' energy: -130.150 flat angles P-C4'-P energy: -79.287 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -778.919994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.919994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.919994 (E_RNA) where: Base-Base interactions energy: -287.169 where: short stacking energy: -196.903 Base-Backbone interact. energy: -2.052 local terms energy: -489.699257 where: bonds (distance) C4'-P energy: -127.007 bonds (distance) P-C4' energy: -179.876 flat angles C4'-P-C4' energy: -124.052 flat angles P-C4'-P energy: -82.834 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: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -624.180588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.180588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.180588 (E_RNA) where: Base-Base interactions energy: -184.897 where: short stacking energy: -139.331 Base-Backbone interact. energy: 1.947 local terms energy: -441.230154 where: bonds (distance) C4'-P energy: -131.402 bonds (distance) P-C4' energy: -154.773 flat angles C4'-P-C4' energy: -125.218 flat angles P-C4'-P energy: -64.339 tors. eta vs tors. theta energy: 34.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2682.986352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.986352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.986352 (E_RNA) where: Base-Base interactions energy: -1750.659 where: short stacking energy: -797.244 Base-Backbone interact. energy: -3.390 local terms energy: -928.937154 where: bonds (distance) C4'-P energy: -170.337 bonds (distance) P-C4' energy: -183.165 flat angles C4'-P-C4' energy: -207.839 flat angles P-C4'-P energy: -126.199 tors. eta vs tors. theta energy: -241.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2562.756641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.756641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.756641 (E_RNA) where: Base-Base interactions energy: -1677.229 where: short stacking energy: -751.730 Base-Backbone interact. energy: -5.949 local terms energy: -879.578310 where: bonds (distance) C4'-P energy: -166.406 bonds (distance) P-C4' energy: -182.065 flat angles C4'-P-C4' energy: -187.336 flat angles P-C4'-P energy: -118.886 tors. eta vs tors. theta energy: -224.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2353.722292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.722292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.722292 (E_RNA) where: Base-Base interactions energy: -1511.695 where: short stacking energy: -669.198 Base-Backbone interact. energy: -4.356 local terms energy: -837.671714 where: bonds (distance) C4'-P energy: -179.365 bonds (distance) P-C4' energy: -186.092 flat angles C4'-P-C4' energy: -187.513 flat angles P-C4'-P energy: -122.737 tors. eta vs tors. theta energy: -161.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2221.888042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.888042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.888042 (E_RNA) where: Base-Base interactions energy: -1427.828 where: short stacking energy: -635.150 Base-Backbone interact. energy: -4.723 local terms energy: -789.337118 where: bonds (distance) C4'-P energy: -152.093 bonds (distance) P-C4' energy: -184.898 flat angles C4'-P-C4' energy: -173.485 flat angles P-C4'-P energy: -103.356 tors. eta vs tors. theta energy: -175.506 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: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1707.949699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.949699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.949699 (E_RNA) where: Base-Base interactions energy: -1022.680 where: short stacking energy: -505.379 Base-Backbone interact. energy: -4.569 local terms energy: -680.700420 where: bonds (distance) C4'-P energy: -148.343 bonds (distance) P-C4' energy: -171.074 flat angles C4'-P-C4' energy: -176.874 flat angles P-C4'-P energy: -91.647 tors. eta vs tors. theta energy: -92.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1695.767989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.767989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.767989 (E_RNA) where: Base-Base interactions energy: -1030.222 where: short stacking energy: -492.427 Base-Backbone interact. energy: 1.241 local terms energy: -666.786934 where: bonds (distance) C4'-P energy: -154.512 bonds (distance) P-C4' energy: -149.837 flat angles C4'-P-C4' energy: -146.476 flat angles P-C4'-P energy: -111.875 tors. eta vs tors. theta energy: -104.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1465.270833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.270833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.270833 (E_RNA) where: Base-Base interactions energy: -863.063 where: short stacking energy: -385.585 Base-Backbone interact. energy: -2.036 local terms energy: -600.171118 where: bonds (distance) C4'-P energy: -155.177 bonds (distance) P-C4' energy: -164.700 flat angles C4'-P-C4' energy: -142.205 flat angles P-C4'-P energy: -94.705 tors. eta vs tors. theta energy: -43.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1049.685605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.685605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.685605 (E_RNA) where: Base-Base interactions energy: -503.563 where: short stacking energy: -287.750 Base-Backbone interact. energy: 4.059 local terms energy: -550.180886 where: bonds (distance) C4'-P energy: -133.656 bonds (distance) P-C4' energy: -147.213 flat angles C4'-P-C4' energy: -154.873 flat angles P-C4'-P energy: -107.900 tors. eta vs tors. theta energy: -6.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -816.695491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.695491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.695491 (E_RNA) where: Base-Base interactions energy: -383.631 where: short stacking energy: -240.253 Base-Backbone interact. energy: 0.318 local terms energy: -433.383099 where: bonds (distance) C4'-P energy: -131.475 bonds (distance) P-C4' energy: -152.453 flat angles C4'-P-C4' energy: -91.950 flat angles P-C4'-P energy: -70.124 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: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -658.885001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.885001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.885001 (E_RNA) where: Base-Base interactions energy: -260.324 where: short stacking energy: -162.745 Base-Backbone interact. energy: 4.541 local terms energy: -403.102311 where: bonds (distance) C4'-P energy: -130.826 bonds (distance) P-C4' energy: -153.344 flat angles C4'-P-C4' energy: -113.458 flat angles P-C4'-P energy: -64.583 tors. eta vs tors. theta energy: 59.109 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: 4 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2705.512961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.512961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.512961 (E_RNA) where: Base-Base interactions energy: -1779.972 where: short stacking energy: -826.769 Base-Backbone interact. energy: -3.127 local terms energy: -922.414203 where: bonds (distance) C4'-P energy: -182.363 bonds (distance) P-C4' energy: -179.000 flat angles C4'-P-C4' energy: -207.690 flat angles P-C4'-P energy: -113.885 tors. eta vs tors. theta energy: -239.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2542.210029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.210029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.210029 (E_RNA) where: Base-Base interactions energy: -1661.381 where: short stacking energy: -726.701 Base-Backbone interact. energy: 0.263 local terms energy: -881.092429 where: bonds (distance) C4'-P energy: -149.041 bonds (distance) P-C4' energy: -198.459 flat angles C4'-P-C4' energy: -193.269 flat angles P-C4'-P energy: -129.662 tors. eta vs tors. theta energy: -210.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2320.933312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.933312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.933312 (E_RNA) where: Base-Base interactions energy: -1476.872 where: short stacking energy: -624.751 Base-Backbone interact. energy: -5.244 local terms energy: -838.817540 where: bonds (distance) C4'-P energy: -171.636 bonds (distance) P-C4' energy: -176.540 flat angles C4'-P-C4' energy: -183.768 flat angles P-C4'-P energy: -121.764 tors. eta vs tors. theta energy: -185.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2280.589249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.589249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.589249 (E_RNA) where: Base-Base interactions energy: -1488.551 where: short stacking energy: -626.112 Base-Backbone interact. energy: -2.275 local terms energy: -789.763841 where: bonds (distance) C4'-P energy: -159.020 bonds (distance) P-C4' energy: -168.250 flat angles C4'-P-C4' energy: -174.637 flat angles P-C4'-P energy: -126.699 tors. eta vs tors. theta energy: -161.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1747.385276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.385276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.385276 (E_RNA) where: Base-Base interactions energy: -1076.730 where: short stacking energy: -527.607 Base-Backbone interact. energy: -0.688 local terms energy: -669.967613 where: bonds (distance) C4'-P energy: -147.460 bonds (distance) P-C4' energy: -149.222 flat angles C4'-P-C4' energy: -155.083 flat angles P-C4'-P energy: -108.672 tors. eta vs tors. theta energy: -109.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1691.997755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.997755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.997755 (E_RNA) where: Base-Base interactions energy: -1021.603 where: short stacking energy: -443.006 Base-Backbone interact. energy: -0.758 local terms energy: -669.636526 where: bonds (distance) C4'-P energy: -177.208 bonds (distance) P-C4' energy: -150.177 flat angles C4'-P-C4' energy: -157.899 flat angles P-C4'-P energy: -106.957 tors. eta vs tors. theta energy: -77.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1484.628677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.628677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.628677 (E_RNA) where: Base-Base interactions energy: -859.868 where: short stacking energy: -385.386 Base-Backbone interact. energy: 5.032 local terms energy: -629.792205 where: bonds (distance) C4'-P energy: -136.540 bonds (distance) P-C4' energy: -172.484 flat angles C4'-P-C4' energy: -179.066 flat angles P-C4'-P energy: -92.017 tors. eta vs tors. theta energy: -49.686 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: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -886.498027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.498027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.498027 (E_RNA) where: Base-Base interactions energy: -389.355 where: short stacking energy: -251.307 Base-Backbone interact. energy: 3.720 local terms energy: -500.863351 where: bonds (distance) C4'-P energy: -133.769 bonds (distance) P-C4' energy: -158.028 flat angles C4'-P-C4' energy: -127.195 flat angles P-C4'-P energy: -84.448 tors. eta vs tors. theta energy: 2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -781.259014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.259014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.259014 (E_RNA) where: Base-Base interactions energy: -294.695 where: short stacking energy: -192.071 Base-Backbone interact. energy: -4.055 local terms energy: -482.508221 where: bonds (distance) C4'-P energy: -146.965 bonds (distance) P-C4' energy: -156.596 flat angles C4'-P-C4' energy: -122.711 flat angles P-C4'-P energy: -82.948 tors. eta vs tors. theta energy: 26.711 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: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -665.817655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.817655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.817655 (E_RNA) where: Base-Base interactions energy: -220.651 where: short stacking energy: -186.826 Base-Backbone interact. energy: 2.116 local terms energy: -447.283276 where: bonds (distance) C4'-P energy: -143.105 bonds (distance) P-C4' energy: -161.405 flat angles C4'-P-C4' energy: -117.368 flat angles P-C4'-P energy: -61.760 tors. eta vs tors. theta energy: 36.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2710.618464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.618464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.618464 (E_RNA) where: Base-Base interactions energy: -1765.900 where: short stacking energy: -817.826 Base-Backbone interact. energy: -1.528 local terms energy: -943.190337 where: bonds (distance) C4'-P energy: -187.926 bonds (distance) P-C4' energy: -190.158 flat angles C4'-P-C4' energy: -204.738 flat angles P-C4'-P energy: -116.549 tors. eta vs tors. theta energy: -243.820 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: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2623.032332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.032332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.032332 (E_RNA) where: Base-Base interactions energy: -1709.699 where: short stacking energy: -749.400 Base-Backbone interact. energy: -6.083 local terms energy: -907.250658 where: bonds (distance) C4'-P energy: -180.960 bonds (distance) P-C4' energy: -169.439 flat angles C4'-P-C4' energy: -194.752 flat angles P-C4'-P energy: -137.577 tors. eta vs tors. theta energy: -224.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2337.586907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.586907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.586907 (E_RNA) where: Base-Base interactions energy: -1473.108 where: short stacking energy: -709.799 Base-Backbone interact. energy: -0.877 local terms energy: -863.602043 where: bonds (distance) C4'-P energy: -183.394 bonds (distance) P-C4' energy: -173.149 flat angles C4'-P-C4' energy: -179.009 flat angles P-C4'-P energy: -129.745 tors. eta vs tors. theta energy: -198.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2253.951270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.951270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.951270 (E_RNA) where: Base-Base interactions energy: -1459.579 where: short stacking energy: -623.167 Base-Backbone interact. energy: -1.004 local terms energy: -793.368444 where: bonds (distance) C4'-P energy: -189.601 bonds (distance) P-C4' energy: -182.439 flat angles C4'-P-C4' energy: -174.831 flat angles P-C4'-P energy: -99.155 tors. eta vs tors. theta energy: -147.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1765.939947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.939947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.939947 (E_RNA) where: Base-Base interactions energy: -1067.515 where: short stacking energy: -472.433 Base-Backbone interact. energy: -0.348 local terms energy: -698.076971 where: bonds (distance) C4'-P energy: -156.923 bonds (distance) P-C4' energy: -187.337 flat angles C4'-P-C4' energy: -178.292 flat angles P-C4'-P energy: -94.379 tors. eta vs tors. theta energy: -81.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1723.519751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.519751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.519751 (E_RNA) where: Base-Base interactions energy: -1031.730 where: short stacking energy: -486.590 Base-Backbone interact. energy: -0.903 local terms energy: -690.886954 where: bonds (distance) C4'-P energy: -168.687 bonds (distance) P-C4' energy: -151.752 flat angles C4'-P-C4' energy: -167.453 flat angles P-C4'-P energy: -104.032 tors. eta vs tors. theta energy: -98.963 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: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1605.477744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.477744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.477744 (E_RNA) where: Base-Base interactions energy: -962.331 where: short stacking energy: -422.644 Base-Backbone interact. energy: 0.344 local terms energy: -643.490513 where: bonds (distance) C4'-P energy: -161.393 bonds (distance) P-C4' energy: -169.275 flat angles C4'-P-C4' energy: -142.154 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -66.136 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: 8, replica: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -913.204295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.204295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.204295 (E_RNA) where: Base-Base interactions energy: -420.392 where: short stacking energy: -238.375 Base-Backbone interact. energy: -0.028 local terms energy: -492.784702 where: bonds (distance) C4'-P energy: -148.116 bonds (distance) P-C4' energy: -173.123 flat angles C4'-P-C4' energy: -111.818 flat angles P-C4'-P energy: -67.106 tors. eta vs tors. theta energy: 7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -775.397547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.397547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.397547 (E_RNA) where: Base-Base interactions energy: -305.827 where: short stacking energy: -210.380 Base-Backbone interact. energy: -0.872 local terms energy: -468.697654 where: bonds (distance) C4'-P energy: -139.547 bonds (distance) P-C4' energy: -135.743 flat angles C4'-P-C4' energy: -145.285 flat angles P-C4'-P energy: -74.315 tors. eta vs tors. theta energy: 26.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -642.717896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.717896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.717896 (E_RNA) where: Base-Base interactions energy: -217.829 where: short stacking energy: -197.537 Base-Backbone interact. energy: -0.880 local terms energy: -424.008850 where: bonds (distance) C4'-P energy: -122.268 bonds (distance) P-C4' energy: -147.744 flat angles C4'-P-C4' energy: -121.570 flat angles P-C4'-P energy: -63.246 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: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2688.717230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.717230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.717230 (E_RNA) where: Base-Base interactions energy: -1788.056 where: short stacking energy: -779.387 Base-Backbone interact. energy: -0.678 local terms energy: -899.983227 where: bonds (distance) C4'-P energy: -165.565 bonds (distance) P-C4' energy: -170.412 flat angles C4'-P-C4' energy: -210.483 flat angles P-C4'-P energy: -124.230 tors. eta vs tors. theta energy: -229.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2604.335824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.335824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.335824 (E_RNA) where: Base-Base interactions energy: -1722.501 where: short stacking energy: -739.575 Base-Backbone interact. energy: 3.697 local terms energy: -885.532000 where: bonds (distance) C4'-P energy: -190.684 bonds (distance) P-C4' energy: -176.562 flat angles C4'-P-C4' energy: -193.085 flat angles P-C4'-P energy: -119.598 tors. eta vs tors. theta energy: -205.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2333.118063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.118063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.118063 (E_RNA) where: Base-Base interactions energy: -1492.554 where: short stacking energy: -683.117 Base-Backbone interact. energy: -4.074 local terms energy: -836.489875 where: bonds (distance) C4'-P energy: -165.951 bonds (distance) P-C4' energy: -167.234 flat angles C4'-P-C4' energy: -189.358 flat angles P-C4'-P energy: -122.987 tors. eta vs tors. theta energy: -190.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2245.320464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.320464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.320464 (E_RNA) where: Base-Base interactions energy: -1489.908 where: short stacking energy: -635.642 Base-Backbone interact. energy: -2.929 local terms energy: -752.483246 where: bonds (distance) C4'-P energy: -151.847 bonds (distance) P-C4' energy: -168.433 flat angles C4'-P-C4' energy: -156.878 flat angles P-C4'-P energy: -106.212 tors. eta vs tors. theta energy: -169.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1733.134188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.134188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.134188 (E_RNA) where: Base-Base interactions energy: -1008.577 where: short stacking energy: -474.370 Base-Backbone interact. energy: -2.896 local terms energy: -721.661123 where: bonds (distance) C4'-P energy: -164.947 bonds (distance) P-C4' energy: -169.970 flat angles C4'-P-C4' energy: -171.335 flat angles P-C4'-P energy: -114.913 tors. eta vs tors. theta energy: -100.497 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: 66 Temperature: 1.150000 Total energy: -1613.010112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.010112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.010112 (E_RNA) where: Base-Base interactions energy: -951.538 where: short stacking energy: -461.568 Base-Backbone interact. energy: 0.946 local terms energy: -662.417649 where: bonds (distance) C4'-P energy: -156.407 bonds (distance) P-C4' energy: -152.803 flat angles C4'-P-C4' energy: -162.329 flat angles P-C4'-P energy: -114.923 tors. eta vs tors. theta energy: -75.956 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: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1556.875889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.875889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.875889 (E_RNA) where: Base-Base interactions energy: -933.980 where: short stacking energy: -465.108 Base-Backbone interact. energy: -1.574 local terms energy: -621.321762 where: bonds (distance) C4'-P energy: -155.993 bonds (distance) P-C4' energy: -138.467 flat angles C4'-P-C4' energy: -164.555 flat angles P-C4'-P energy: -84.176 tors. eta vs tors. theta energy: -78.130 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: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -950.995337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.995337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.995337 (E_RNA) where: Base-Base interactions energy: -422.995 where: short stacking energy: -260.230 Base-Backbone interact. energy: -2.638 local terms energy: -525.362997 where: bonds (distance) C4'-P energy: -147.741 bonds (distance) P-C4' energy: -153.362 flat angles C4'-P-C4' energy: -124.783 flat angles P-C4'-P energy: -75.073 tors. eta vs tors. theta energy: -24.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -709.389097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.389097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.389097 (E_RNA) where: Base-Base interactions energy: -232.387 where: short stacking energy: -195.060 Base-Backbone interact. energy: -4.828 local terms energy: -472.174423 where: bonds (distance) C4'-P energy: -128.249 bonds (distance) P-C4' energy: -159.773 flat angles C4'-P-C4' energy: -139.745 flat angles P-C4'-P energy: -78.868 tors. eta vs tors. theta energy: 34.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -723.648461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.648461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.648461 (E_RNA) where: Base-Base interactions energy: -271.986 where: short stacking energy: -199.066 Base-Backbone interact. energy: 1.691 local terms energy: -453.353412 where: bonds (distance) C4'-P energy: -136.413 bonds (distance) P-C4' energy: -153.957 flat angles C4'-P-C4' energy: -115.042 flat angles P-C4'-P energy: -74.857 tors. eta vs tors. theta energy: 26.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2672.376018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.376018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.376018 (E_RNA) where: Base-Base interactions energy: -1702.104 where: short stacking energy: -799.811 Base-Backbone interact. energy: -1.921 local terms energy: -968.350715 where: bonds (distance) C4'-P energy: -187.371 bonds (distance) P-C4' energy: -181.846 flat angles C4'-P-C4' energy: -209.422 flat angles P-C4'-P energy: -144.769 tors. eta vs tors. theta energy: -244.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2621.526189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.526189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.526189 (E_RNA) where: Base-Base interactions energy: -1723.924 where: short stacking energy: -740.353 Base-Backbone interact. energy: -3.928 local terms energy: -893.674869 where: bonds (distance) C4'-P energy: -175.876 bonds (distance) P-C4' energy: -171.005 flat angles C4'-P-C4' energy: -213.577 flat angles P-C4'-P energy: -120.972 tors. eta vs tors. theta energy: -212.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2340.657514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.657514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.657514 (E_RNA) where: Base-Base interactions energy: -1483.202 where: short stacking energy: -687.222 Base-Backbone interact. energy: 0.869 local terms energy: -858.324004 where: bonds (distance) C4'-P energy: -177.501 bonds (distance) P-C4' energy: -180.063 flat angles C4'-P-C4' energy: -186.130 flat angles P-C4'-P energy: -116.949 tors. eta vs tors. theta energy: -197.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2289.318257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.318257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.318257 (E_RNA) where: Base-Base interactions energy: -1482.822 where: short stacking energy: -624.069 Base-Backbone interact. energy: 2.792 local terms energy: -809.288167 where: bonds (distance) C4'-P energy: -171.704 bonds (distance) P-C4' energy: -166.677 flat angles C4'-P-C4' energy: -174.720 flat angles P-C4'-P energy: -124.655 tors. eta vs tors. theta energy: -171.532 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: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1874.744484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.744484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.744484 (E_RNA) where: Base-Base interactions energy: -1166.594 where: short stacking energy: -533.294 Base-Backbone interact. energy: 0.086 local terms energy: -708.237226 where: bonds (distance) C4'-P energy: -160.774 bonds (distance) P-C4' energy: -157.967 flat angles C4'-P-C4' energy: -173.209 flat angles P-C4'-P energy: -104.113 tors. eta vs tors. theta energy: -112.175 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: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1586.132306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.132306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.132306 (E_RNA) where: Base-Base interactions energy: -927.534 where: short stacking energy: -441.874 Base-Backbone interact. energy: 2.073 local terms energy: -660.670932 where: bonds (distance) C4'-P energy: -155.731 bonds (distance) P-C4' energy: -132.777 flat angles C4'-P-C4' energy: -173.879 flat angles P-C4'-P energy: -113.067 tors. eta vs tors. theta energy: -85.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1384.070185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.070185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.070185 (E_RNA) where: Base-Base interactions energy: -753.427 where: short stacking energy: -378.801 Base-Backbone interact. energy: -1.766 local terms energy: -628.877205 where: bonds (distance) C4'-P energy: -149.186 bonds (distance) P-C4' energy: -166.560 flat angles C4'-P-C4' energy: -162.437 flat angles P-C4'-P energy: -92.936 tors. eta vs tors. theta energy: -57.758 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: 8, replica: 1 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -963.898870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.898870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.898870 (E_RNA) where: Base-Base interactions energy: -464.835 where: short stacking energy: -267.368 Base-Backbone interact. energy: 0.116 local terms energy: -499.180159 where: bonds (distance) C4'-P energy: -136.762 bonds (distance) P-C4' energy: -152.892 flat angles C4'-P-C4' energy: -138.293 flat angles P-C4'-P energy: -70.669 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -717.133614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.133614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.133614 (E_RNA) where: Base-Base interactions energy: -250.537 where: short stacking energy: -170.591 Base-Backbone interact. energy: -1.224 local terms energy: -465.373324 where: bonds (distance) C4'-P energy: -135.905 bonds (distance) P-C4' energy: -162.066 flat angles C4'-P-C4' energy: -115.410 flat angles P-C4'-P energy: -79.408 tors. eta vs tors. theta energy: 27.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -750.542532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.542532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.542532 (E_RNA) where: Base-Base interactions energy: -332.102 where: short stacking energy: -194.827 Base-Backbone interact. energy: 9.302 local terms energy: -427.742832 where: bonds (distance) C4'-P energy: -117.840 bonds (distance) P-C4' energy: -141.503 flat angles C4'-P-C4' energy: -129.818 flat angles P-C4'-P energy: -73.293 tors. eta vs tors. theta energy: 34.710 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: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2689.731106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.731106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.731106 (E_RNA) where: Base-Base interactions energy: -1737.341 where: short stacking energy: -828.659 Base-Backbone interact. energy: -2.330 local terms energy: -950.060394 where: bonds (distance) C4'-P energy: -157.671 bonds (distance) P-C4' energy: -190.892 flat angles C4'-P-C4' energy: -218.197 flat angles P-C4'-P energy: -135.024 tors. eta vs tors. theta energy: -248.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2638.907041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.907041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.907041 (E_RNA) where: Base-Base interactions energy: -1730.414 where: short stacking energy: -744.795 Base-Backbone interact. energy: -4.499 local terms energy: -903.993931 where: bonds (distance) C4'-P energy: -168.145 bonds (distance) P-C4' energy: -179.451 flat angles C4'-P-C4' energy: -198.807 flat angles P-C4'-P energy: -137.940 tors. eta vs tors. theta energy: -219.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2355.024526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.024526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.024526 (E_RNA) where: Base-Base interactions energy: -1508.086 where: short stacking energy: -683.676 Base-Backbone interact. energy: -0.311 local terms energy: -846.626856 where: bonds (distance) C4'-P energy: -179.601 bonds (distance) P-C4' energy: -185.672 flat angles C4'-P-C4' energy: -191.888 flat angles P-C4'-P energy: -113.577 tors. eta vs tors. theta energy: -175.888 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: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2285.826035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.826035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.826035 (E_RNA) where: Base-Base interactions energy: -1491.577 where: short stacking energy: -637.565 Base-Backbone interact. energy: -5.429 local terms energy: -788.820103 where: bonds (distance) C4'-P energy: -154.985 bonds (distance) P-C4' energy: -182.070 flat angles C4'-P-C4' energy: -182.188 flat angles P-C4'-P energy: -111.988 tors. eta vs tors. theta energy: -157.589 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: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1877.888142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.888142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.888142 (E_RNA) where: Base-Base interactions energy: -1144.420 where: short stacking energy: -522.971 Base-Backbone interact. energy: -2.136 local terms energy: -731.332256 where: bonds (distance) C4'-P energy: -166.985 bonds (distance) P-C4' energy: -168.801 flat angles C4'-P-C4' energy: -171.884 flat angles P-C4'-P energy: -98.330 tors. eta vs tors. theta energy: -125.333 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: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1629.963990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.963990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.963990 (E_RNA) where: Base-Base interactions energy: -989.230 where: short stacking energy: -493.078 Base-Backbone interact. energy: -4.206 local terms energy: -636.527696 where: bonds (distance) C4'-P energy: -131.042 bonds (distance) P-C4' energy: -156.537 flat angles C4'-P-C4' energy: -158.516 flat angles P-C4'-P energy: -90.604 tors. eta vs tors. theta energy: -99.829 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: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1361.681550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.681550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.681550 (E_RNA) where: Base-Base interactions energy: -735.775 where: short stacking energy: -366.862 Base-Backbone interact. energy: -4.235 local terms energy: -621.671553 where: bonds (distance) C4'-P energy: -150.139 bonds (distance) P-C4' energy: -147.670 flat angles C4'-P-C4' energy: -162.471 flat angles P-C4'-P energy: -100.880 tors. eta vs tors. theta energy: -60.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -970.855259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.855259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.855259 (E_RNA) where: Base-Base interactions energy: -460.260 where: short stacking energy: -256.498 Base-Backbone interact. energy: -3.090 local terms energy: -507.504494 where: bonds (distance) C4'-P energy: -147.119 bonds (distance) P-C4' energy: -162.359 flat angles C4'-P-C4' energy: -136.271 flat angles P-C4'-P energy: -72.860 tors. eta vs tors. theta energy: 11.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -718.602072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.602072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.602072 (E_RNA) where: Base-Base interactions energy: -277.855 where: short stacking energy: -206.858 Base-Backbone interact. energy: 0.533 local terms energy: -441.280226 where: bonds (distance) C4'-P energy: -133.498 bonds (distance) P-C4' energy: -161.025 flat angles C4'-P-C4' energy: -110.298 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: 31.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -715.644740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.644740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.644740 (E_RNA) where: Base-Base interactions energy: -269.067 where: short stacking energy: -198.205 Base-Backbone interact. energy: 1.123 local terms energy: -447.701650 where: bonds (distance) C4'-P energy: -143.644 bonds (distance) P-C4' energy: -136.958 flat angles C4'-P-C4' energy: -131.751 flat angles P-C4'-P energy: -67.099 tors. eta vs tors. theta energy: 31.751 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: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2669.213708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.213708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.213708 (E_RNA) where: Base-Base interactions energy: -1717.388 where: short stacking energy: -825.287 Base-Backbone interact. energy: -3.564 local terms energy: -948.261863 where: bonds (distance) C4'-P energy: -188.010 bonds (distance) P-C4' energy: -190.559 flat angles C4'-P-C4' energy: -202.680 flat angles P-C4'-P energy: -132.777 tors. eta vs tors. theta energy: -234.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2622.695919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.695919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.695919 (E_RNA) where: Base-Base interactions energy: -1698.131 where: short stacking energy: -757.601 Base-Backbone interact. energy: 1.660 local terms energy: -926.224552 where: bonds (distance) C4'-P energy: -186.141 bonds (distance) P-C4' energy: -180.437 flat angles C4'-P-C4' energy: -198.123 flat angles P-C4'-P energy: -144.290 tors. eta vs tors. theta energy: -217.235 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: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2381.430754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.430754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.430754 (E_RNA) where: Base-Base interactions energy: -1547.364 where: short stacking energy: -717.686 Base-Backbone interact. energy: 0.872 local terms energy: -834.938391 where: bonds (distance) C4'-P energy: -169.020 bonds (distance) P-C4' energy: -174.060 flat angles C4'-P-C4' energy: -179.822 flat angles P-C4'-P energy: -123.381 tors. eta vs tors. theta energy: -188.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2249.690958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.690958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.690958 (E_RNA) where: Base-Base interactions energy: -1487.599 where: short stacking energy: -596.286 Base-Backbone interact. energy: -6.264 local terms energy: -755.827955 where: bonds (distance) C4'-P energy: -180.096 bonds (distance) P-C4' energy: -147.965 flat angles C4'-P-C4' energy: -170.617 flat angles P-C4'-P energy: -93.579 tors. eta vs tors. theta energy: -163.571 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: 69 Temperature: 1.100000 Total energy: -1901.926699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.926699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.926699 (E_RNA) where: Base-Base interactions energy: -1178.559 where: short stacking energy: -539.837 Base-Backbone interact. energy: -0.648 local terms energy: -722.720310 where: bonds (distance) C4'-P energy: -160.455 bonds (distance) P-C4' energy: -178.122 flat angles C4'-P-C4' energy: -160.703 flat angles P-C4'-P energy: -101.835 tors. eta vs tors. theta energy: -121.605 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: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1579.234609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.234609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.234609 (E_RNA) where: Base-Base interactions energy: -913.936 where: short stacking energy: -451.456 Base-Backbone interact. energy: 4.324 local terms energy: -669.622604 where: bonds (distance) C4'-P energy: -152.989 bonds (distance) P-C4' energy: -182.094 flat angles C4'-P-C4' energy: -157.463 flat angles P-C4'-P energy: -92.990 tors. eta vs tors. theta energy: -84.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1400.709869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.709869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.709869 (E_RNA) where: Base-Base interactions energy: -785.496 where: short stacking energy: -395.844 Base-Backbone interact. energy: 1.556 local terms energy: -616.770113 where: bonds (distance) C4'-P energy: -175.786 bonds (distance) P-C4' energy: -161.236 flat angles C4'-P-C4' energy: -146.537 flat angles P-C4'-P energy: -84.491 tors. eta vs tors. theta energy: -48.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1095.581848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.581848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.581848 (E_RNA) where: Base-Base interactions energy: -569.424 where: short stacking energy: -299.068 Base-Backbone interact. energy: 1.344 local terms energy: -527.501810 where: bonds (distance) C4'-P energy: -133.818 bonds (distance) P-C4' energy: -160.512 flat angles C4'-P-C4' energy: -133.291 flat angles P-C4'-P energy: -82.447 tors. eta vs tors. theta energy: -17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -716.221018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.221018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.221018 (E_RNA) where: Base-Base interactions energy: -264.164 where: short stacking energy: -211.490 Base-Backbone interact. energy: 3.403 local terms energy: -455.459991 where: bonds (distance) C4'-P energy: -129.091 bonds (distance) P-C4' energy: -161.030 flat angles C4'-P-C4' energy: -136.828 flat angles P-C4'-P energy: -50.252 tors. eta vs tors. theta energy: 21.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -767.190527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.190527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.190527 (E_RNA) where: Base-Base interactions energy: -311.107 where: short stacking energy: -197.027 Base-Backbone interact. energy: -1.029 local terms energy: -455.054991 where: bonds (distance) C4'-P energy: -125.894 bonds (distance) P-C4' energy: -138.088 flat angles C4'-P-C4' energy: -131.855 flat angles P-C4'-P energy: -64.403 tors. eta vs tors. theta energy: 5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2727.844908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.844908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.844908 (E_RNA) where: Base-Base interactions energy: -1811.879 where: short stacking energy: -770.184 Base-Backbone interact. energy: -4.214 local terms energy: -911.751265 where: bonds (distance) C4'-P energy: -180.236 bonds (distance) P-C4' energy: -182.679 flat angles C4'-P-C4' energy: -193.374 flat angles P-C4'-P energy: -129.939 tors. eta vs tors. theta energy: -225.523 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: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2587.146649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.146649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.146649 (E_RNA) where: Base-Base interactions energy: -1668.288 where: short stacking energy: -799.910 Base-Backbone interact. energy: -0.961 local terms energy: -917.897903 where: bonds (distance) C4'-P energy: -165.465 bonds (distance) P-C4' energy: -178.366 flat angles C4'-P-C4' energy: -202.245 flat angles P-C4'-P energy: -115.709 tors. eta vs tors. theta energy: -256.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2429.255856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.255856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.255856 (E_RNA) where: Base-Base interactions energy: -1573.447 where: short stacking energy: -690.101 Base-Backbone interact. energy: 2.962 local terms energy: -858.770995 where: bonds (distance) C4'-P energy: -167.425 bonds (distance) P-C4' energy: -197.338 flat angles C4'-P-C4' energy: -190.093 flat angles P-C4'-P energy: -108.009 tors. eta vs tors. theta energy: -195.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2238.269919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.269919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.269919 (E_RNA) where: Base-Base interactions energy: -1451.881 where: short stacking energy: -622.492 Base-Backbone interact. energy: -2.636 local terms energy: -783.752982 where: bonds (distance) C4'-P energy: -162.142 bonds (distance) P-C4' energy: -172.514 flat angles C4'-P-C4' energy: -162.214 flat angles P-C4'-P energy: -130.533 tors. eta vs tors. theta energy: -156.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1909.414336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.414336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.414336 (E_RNA) where: Base-Base interactions energy: -1184.519 where: short stacking energy: -549.145 Base-Backbone interact. energy: 3.115 local terms energy: -728.010138 where: bonds (distance) C4'-P energy: -150.163 bonds (distance) P-C4' energy: -147.764 flat angles C4'-P-C4' energy: -171.856 flat angles P-C4'-P energy: -113.993 tors. eta vs tors. theta energy: -144.234 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: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1623.258803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.258803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.258803 (E_RNA) where: Base-Base interactions energy: -942.273 where: short stacking energy: -467.146 Base-Backbone interact. energy: -2.063 local terms energy: -678.922432 where: bonds (distance) C4'-P energy: -151.258 bonds (distance) P-C4' energy: -189.364 flat angles C4'-P-C4' energy: -148.764 flat angles P-C4'-P energy: -99.566 tors. eta vs tors. theta energy: -89.971 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: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1392.592975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.592975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.592975 (E_RNA) where: Base-Base interactions energy: -809.773 where: short stacking energy: -380.126 Base-Backbone interact. energy: -3.701 local terms energy: -579.118292 where: bonds (distance) C4'-P energy: -152.835 bonds (distance) P-C4' energy: -163.642 flat angles C4'-P-C4' energy: -130.518 flat angles P-C4'-P energy: -88.662 tors. eta vs tors. theta energy: -43.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1089.894803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.894803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.894803 (E_RNA) where: Base-Base interactions energy: -585.420 where: short stacking energy: -334.948 Base-Backbone interact. energy: 0.508 local terms energy: -504.982864 where: bonds (distance) C4'-P energy: -138.009 bonds (distance) P-C4' energy: -147.724 flat angles C4'-P-C4' energy: -139.495 flat angles P-C4'-P energy: -51.571 tors. eta vs tors. theta energy: -28.184 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: 9, replica: 8 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -763.916222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.916222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.916222 (E_RNA) where: Base-Base interactions energy: -268.551 where: short stacking energy: -202.798 Base-Backbone interact. energy: 1.867 local terms energy: -497.232366 where: bonds (distance) C4'-P energy: -151.524 bonds (distance) P-C4' energy: -166.451 flat angles C4'-P-C4' energy: -120.172 flat angles P-C4'-P energy: -77.636 tors. eta vs tors. theta energy: 18.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -764.218015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.218015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.218015 (E_RNA) where: Base-Base interactions energy: -297.464 where: short stacking energy: -205.142 Base-Backbone interact. energy: 1.866 local terms energy: -468.619394 where: bonds (distance) C4'-P energy: -148.812 bonds (distance) P-C4' energy: -159.689 flat angles C4'-P-C4' energy: -117.430 flat angles P-C4'-P energy: -66.604 tors. eta vs tors. theta energy: 23.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2753.490702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.490702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.490702 (E_RNA) where: Base-Base interactions energy: -1809.416 where: short stacking energy: -796.907 Base-Backbone interact. energy: -7.460 local terms energy: -936.614751 where: bonds (distance) C4'-P energy: -170.531 bonds (distance) P-C4' energy: -187.185 flat angles C4'-P-C4' energy: -204.501 flat angles P-C4'-P energy: -138.766 tors. eta vs tors. theta energy: -235.633 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: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2560.533796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.533796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.533796 (E_RNA) where: Base-Base interactions energy: -1661.777 where: short stacking energy: -791.673 Base-Backbone interact. energy: -0.328 local terms energy: -898.429028 where: bonds (distance) C4'-P energy: -177.734 bonds (distance) P-C4' energy: -165.037 flat angles C4'-P-C4' energy: -196.377 flat angles P-C4'-P energy: -120.945 tors. eta vs tors. theta energy: -238.336 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: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2446.704162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.704162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.704162 (E_RNA) where: Base-Base interactions energy: -1597.691 where: short stacking energy: -722.955 Base-Backbone interact. energy: -2.127 local terms energy: -846.886695 where: bonds (distance) C4'-P energy: -157.664 bonds (distance) P-C4' energy: -180.963 flat angles C4'-P-C4' energy: -188.572 flat angles P-C4'-P energy: -115.830 tors. eta vs tors. theta energy: -203.858 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: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2199.027715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.027715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.027715 (E_RNA) where: Base-Base interactions energy: -1445.666 where: short stacking energy: -643.953 Base-Backbone interact. energy: -1.059 local terms energy: -752.302674 where: bonds (distance) C4'-P energy: -148.913 bonds (distance) P-C4' energy: -159.384 flat angles C4'-P-C4' energy: -185.468 flat angles P-C4'-P energy: -96.596 tors. eta vs tors. theta energy: -161.942 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: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1925.725602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.725602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.725602 (E_RNA) where: Base-Base interactions energy: -1191.071 where: short stacking energy: -558.508 Base-Backbone interact. energy: -3.837 local terms energy: -730.817817 where: bonds (distance) C4'-P energy: -130.489 bonds (distance) P-C4' energy: -184.768 flat angles C4'-P-C4' energy: -164.885 flat angles P-C4'-P energy: -114.243 tors. eta vs tors. theta energy: -136.432 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: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1626.428176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.428176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.428176 (E_RNA) where: Base-Base interactions energy: -955.796 where: short stacking energy: -452.633 Base-Backbone interact. energy: 0.710 local terms energy: -671.341462 where: bonds (distance) C4'-P energy: -154.249 bonds (distance) P-C4' energy: -171.241 flat angles C4'-P-C4' energy: -157.964 flat angles P-C4'-P energy: -91.032 tors. eta vs tors. theta energy: -96.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1363.531901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.531901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.531901 (E_RNA) where: Base-Base interactions energy: -812.746 where: short stacking energy: -398.064 Base-Backbone interact. energy: -0.163 local terms energy: -550.623065 where: bonds (distance) C4'-P energy: -135.864 bonds (distance) P-C4' energy: -154.068 flat angles C4'-P-C4' energy: -125.445 flat angles P-C4'-P energy: -87.545 tors. eta vs tors. theta energy: -47.701 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: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1048.639236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.639236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.639236 (E_RNA) where: Base-Base interactions energy: -486.629 where: short stacking energy: -288.386 Base-Backbone interact. energy: 1.175 local terms energy: -563.185404 where: bonds (distance) C4'-P energy: -142.691 bonds (distance) P-C4' energy: -190.247 flat angles C4'-P-C4' energy: -164.713 flat angles P-C4'-P energy: -59.165 tors. eta vs tors. theta energy: -6.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -727.970963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.970963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.970963 (E_RNA) where: Base-Base interactions energy: -249.639 where: short stacking energy: -183.258 Base-Backbone interact. energy: 5.903 local terms energy: -484.235126 where: bonds (distance) C4'-P energy: -136.088 bonds (distance) P-C4' energy: -156.401 flat angles C4'-P-C4' energy: -134.611 flat angles P-C4'-P energy: -86.543 tors. eta vs tors. theta energy: 29.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -713.256173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.256173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.256173 (E_RNA) where: Base-Base interactions energy: -314.364 where: short stacking energy: -193.277 Base-Backbone interact. energy: 11.527 local terms energy: -410.419739 where: bonds (distance) C4'-P energy: -131.677 bonds (distance) P-C4' energy: -136.219 flat angles C4'-P-C4' energy: -120.832 flat angles P-C4'-P energy: -69.849 tors. eta vs tors. theta energy: 48.158 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: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2809.473692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.473692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.473692 (E_RNA) where: Base-Base interactions energy: -1880.883 where: short stacking energy: -817.802 Base-Backbone interact. energy: -5.054 local terms energy: -923.537043 where: bonds (distance) C4'-P energy: -166.481 bonds (distance) P-C4' energy: -186.610 flat angles C4'-P-C4' energy: -202.787 flat angles P-C4'-P energy: -134.986 tors. eta vs tors. theta energy: -232.674 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: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2558.033230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.033230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.033230 (E_RNA) where: Base-Base interactions energy: -1667.246 where: short stacking energy: -752.000 Base-Backbone interact. energy: -5.155 local terms energy: -885.631698 where: bonds (distance) C4'-P energy: -182.646 bonds (distance) P-C4' energy: -163.447 flat angles C4'-P-C4' energy: -197.561 flat angles P-C4'-P energy: -117.380 tors. eta vs tors. theta energy: -224.597 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: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2434.141026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.141026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.141026 (E_RNA) where: Base-Base interactions energy: -1567.130 where: short stacking energy: -692.048 Base-Backbone interact. energy: -8.272 local terms energy: -858.738799 where: bonds (distance) C4'-P energy: -157.263 bonds (distance) P-C4' energy: -171.388 flat angles C4'-P-C4' energy: -186.298 flat angles P-C4'-P energy: -142.797 tors. eta vs tors. theta energy: -200.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2197.337362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.337362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.337362 (E_RNA) where: Base-Base interactions energy: -1376.702 where: short stacking energy: -579.820 Base-Backbone interact. energy: -2.419 local terms energy: -818.215960 where: bonds (distance) C4'-P energy: -174.269 bonds (distance) P-C4' energy: -181.907 flat angles C4'-P-C4' energy: -186.794 flat angles P-C4'-P energy: -129.327 tors. eta vs tors. theta energy: -145.920 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: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1941.339714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.339714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.339714 (E_RNA) where: Base-Base interactions energy: -1184.165 where: short stacking energy: -552.523 Base-Backbone interact. energy: -3.107 local terms energy: -754.067453 where: bonds (distance) C4'-P energy: -155.622 bonds (distance) P-C4' energy: -156.723 flat angles C4'-P-C4' energy: -183.617 flat angles P-C4'-P energy: -114.897 tors. eta vs tors. theta energy: -143.209 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: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1652.619480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.619480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.619480 (E_RNA) where: Base-Base interactions energy: -1012.098 where: short stacking energy: -457.488 Base-Backbone interact. energy: 0.794 local terms energy: -641.315007 where: bonds (distance) C4'-P energy: -146.009 bonds (distance) P-C4' energy: -174.507 flat angles C4'-P-C4' energy: -148.407 flat angles P-C4'-P energy: -87.809 tors. eta vs tors. theta energy: -84.582 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: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1363.071405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.071405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.071405 (E_RNA) where: Base-Base interactions energy: -759.000 where: short stacking energy: -369.838 Base-Backbone interact. energy: -1.096 local terms energy: -602.975539 where: bonds (distance) C4'-P energy: -146.824 bonds (distance) P-C4' energy: -170.254 flat angles C4'-P-C4' energy: -152.790 flat angles P-C4'-P energy: -98.466 tors. eta vs tors. theta energy: -34.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1013.896167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.896167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.896167 (E_RNA) where: Base-Base interactions energy: -481.865 where: short stacking energy: -266.145 Base-Backbone interact. energy: -2.981 local terms energy: -529.050182 where: bonds (distance) C4'-P energy: -142.304 bonds (distance) P-C4' energy: -171.402 flat angles C4'-P-C4' energy: -157.073 flat angles P-C4'-P energy: -40.885 tors. eta vs tors. theta energy: -17.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -779.877616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.877616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.877616 (E_RNA) where: Base-Base interactions energy: -325.004 where: short stacking energy: -219.336 Base-Backbone interact. energy: 5.979 local terms energy: -460.852421 where: bonds (distance) C4'-P energy: -133.079 bonds (distance) P-C4' energy: -150.862 flat angles C4'-P-C4' energy: -131.149 flat angles P-C4'-P energy: -52.095 tors. eta vs tors. theta energy: 6.333 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: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -675.076068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.076068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.076068 (E_RNA) where: Base-Base interactions energy: -230.372 where: short stacking energy: -182.641 Base-Backbone interact. energy: -2.217 local terms energy: -442.487099 where: bonds (distance) C4'-P energy: -143.758 bonds (distance) P-C4' energy: -143.460 flat angles C4'-P-C4' energy: -130.389 flat angles P-C4'-P energy: -79.851 tors. eta vs tors. theta energy: 54.970 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: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2785.844810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.844810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.844810 (E_RNA) where: Base-Base interactions energy: -1863.082 where: short stacking energy: -802.769 Base-Backbone interact. energy: -3.117 local terms energy: -919.646273 where: bonds (distance) C4'-P energy: -170.792 bonds (distance) P-C4' energy: -186.569 flat angles C4'-P-C4' energy: -189.581 flat angles P-C4'-P energy: -139.400 tors. eta vs tors. theta energy: -233.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2574.670338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.670338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.670338 (E_RNA) where: Base-Base interactions energy: -1664.202 where: short stacking energy: -775.823 Base-Backbone interact. energy: -2.067 local terms energy: -908.401365 where: bonds (distance) C4'-P energy: -183.479 bonds (distance) P-C4' energy: -181.198 flat angles C4'-P-C4' energy: -200.953 flat angles P-C4'-P energy: -114.894 tors. eta vs tors. theta energy: -227.878 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: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2398.086242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.086242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.086242 (E_RNA) where: Base-Base interactions energy: -1544.502 where: short stacking energy: -710.699 Base-Backbone interact. energy: -3.750 local terms energy: -849.835137 where: bonds (distance) C4'-P energy: -163.611 bonds (distance) P-C4' energy: -177.425 flat angles C4'-P-C4' energy: -179.879 flat angles P-C4'-P energy: -128.003 tors. eta vs tors. theta energy: -200.917 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: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2219.007248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.007248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.007248 (E_RNA) where: Base-Base interactions energy: -1430.661 where: short stacking energy: -631.840 Base-Backbone interact. energy: 1.270 local terms energy: -789.616367 where: bonds (distance) C4'-P energy: -159.788 bonds (distance) P-C4' energy: -168.067 flat angles C4'-P-C4' energy: -179.887 flat angles P-C4'-P energy: -115.492 tors. eta vs tors. theta energy: -166.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1950.403583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.403583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.403583 (E_RNA) where: Base-Base interactions energy: -1235.777 where: short stacking energy: -561.899 Base-Backbone interact. energy: 0.218 local terms energy: -714.844741 where: bonds (distance) C4'-P energy: -154.441 bonds (distance) P-C4' energy: -155.042 flat angles C4'-P-C4' energy: -159.538 flat angles P-C4'-P energy: -121.798 tors. eta vs tors. theta energy: -124.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1633.094047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.094047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.094047 (E_RNA) where: Base-Base interactions energy: -924.162 where: short stacking energy: -400.934 Base-Backbone interact. energy: -2.544 local terms energy: -706.387981 where: bonds (distance) C4'-P energy: -188.627 bonds (distance) P-C4' energy: -180.901 flat angles C4'-P-C4' energy: -153.593 flat angles P-C4'-P energy: -103.169 tors. eta vs tors. theta energy: -80.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1385.238317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.238317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.238317 (E_RNA) where: Base-Base interactions energy: -776.261 where: short stacking energy: -359.955 Base-Backbone interact. energy: 1.422 local terms energy: -610.399360 where: bonds (distance) C4'-P energy: -147.246 bonds (distance) P-C4' energy: -169.629 flat angles C4'-P-C4' energy: -145.897 flat angles P-C4'-P energy: -85.091 tors. eta vs tors. theta energy: -62.537 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: 8, replica: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1007.005692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.005692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.005692 (E_RNA) where: Base-Base interactions energy: -491.937 where: short stacking energy: -273.978 Base-Backbone interact. energy: 0.063 local terms energy: -515.131823 where: bonds (distance) C4'-P energy: -160.570 bonds (distance) P-C4' energy: -163.685 flat angles C4'-P-C4' energy: -125.573 flat angles P-C4'-P energy: -75.353 tors. eta vs tors. theta energy: 10.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -785.716127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.716127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.716127 (E_RNA) where: Base-Base interactions energy: -324.900 where: short stacking energy: -225.014 Base-Backbone interact. energy: -0.270 local terms energy: -460.545510 where: bonds (distance) C4'-P energy: -148.107 bonds (distance) P-C4' energy: -126.697 flat angles C4'-P-C4' energy: -126.495 flat angles P-C4'-P energy: -72.569 tors. eta vs tors. theta energy: 13.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -723.682336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.682336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.682336 (E_RNA) where: Base-Base interactions energy: -330.623 where: short stacking energy: -214.452 Base-Backbone interact. energy: 14.592 local terms energy: -407.651217 where: bonds (distance) C4'-P energy: -105.584 bonds (distance) P-C4' energy: -156.534 flat angles C4'-P-C4' energy: -117.161 flat angles P-C4'-P energy: -73.905 tors. eta vs tors. theta energy: 45.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2808.420985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.420985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.420985 (E_RNA) where: Base-Base interactions energy: -1871.379 where: short stacking energy: -810.467 Base-Backbone interact. energy: -7.454 local terms energy: -929.587774 where: bonds (distance) C4'-P energy: -185.123 bonds (distance) P-C4' energy: -171.527 flat angles C4'-P-C4' energy: -206.145 flat angles P-C4'-P energy: -128.488 tors. eta vs tors. theta energy: -238.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2555.691227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.691227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.691227 (E_RNA) where: Base-Base interactions energy: -1668.161 where: short stacking energy: -762.021 Base-Backbone interact. energy: -2.523 local terms energy: -885.007850 where: bonds (distance) C4'-P energy: -168.329 bonds (distance) P-C4' energy: -181.187 flat angles C4'-P-C4' energy: -188.765 flat angles P-C4'-P energy: -133.392 tors. eta vs tors. theta energy: -213.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2394.161011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.161011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.161011 (E_RNA) where: Base-Base interactions energy: -1542.422 where: short stacking energy: -700.920 Base-Backbone interact. energy: 1.357 local terms energy: -853.095795 where: bonds (distance) C4'-P energy: -159.863 bonds (distance) P-C4' energy: -189.199 flat angles C4'-P-C4' energy: -188.423 flat angles P-C4'-P energy: -116.340 tors. eta vs tors. theta energy: -199.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2200.711642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.711642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.711642 (E_RNA) where: Base-Base interactions energy: -1434.740 where: short stacking energy: -611.887 Base-Backbone interact. energy: -1.379 local terms energy: -764.593309 where: bonds (distance) C4'-P energy: -155.659 bonds (distance) P-C4' energy: -169.331 flat angles C4'-P-C4' energy: -177.780 flat angles P-C4'-P energy: -112.685 tors. eta vs tors. theta energy: -149.139 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: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1904.721076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.721076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.721076 (E_RNA) where: Base-Base interactions energy: -1170.852 where: short stacking energy: -539.483 Base-Backbone interact. energy: 3.086 local terms energy: -736.954579 where: bonds (distance) C4'-P energy: -156.873 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -172.786 flat angles P-C4'-P energy: -127.204 tors. eta vs tors. theta energy: -123.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1645.640354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.640354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.640354 (E_RNA) where: Base-Base interactions energy: -950.663 where: short stacking energy: -456.770 Base-Backbone interact. energy: 5.013 local terms energy: -699.990243 where: bonds (distance) C4'-P energy: -188.034 bonds (distance) P-C4' energy: -181.900 flat angles C4'-P-C4' energy: -166.022 flat angles P-C4'-P energy: -92.096 tors. eta vs tors. theta energy: -71.938 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: 74 Temperature: 1.200000 Total energy: -1349.374258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.374258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.374258 (E_RNA) where: Base-Base interactions energy: -773.222 where: short stacking energy: -365.928 Base-Backbone interact. energy: -3.605 local terms energy: -572.547328 where: bonds (distance) C4'-P energy: -141.489 bonds (distance) P-C4' energy: -151.760 flat angles C4'-P-C4' energy: -135.485 flat angles P-C4'-P energy: -89.833 tors. eta vs tors. theta energy: -53.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1045.777977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.777977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.777977 (E_RNA) where: Base-Base interactions energy: -511.361 where: short stacking energy: -270.510 Base-Backbone interact. energy: 2.675 local terms energy: -537.091918 where: bonds (distance) C4'-P energy: -123.615 bonds (distance) P-C4' energy: -170.718 flat angles C4'-P-C4' energy: -138.255 flat angles P-C4'-P energy: -87.876 tors. eta vs tors. theta energy: -16.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -764.064659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.064659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.064659 (E_RNA) where: Base-Base interactions energy: -306.726 where: short stacking energy: -204.856 Base-Backbone interact. energy: 5.936 local terms energy: -463.274673 where: bonds (distance) C4'-P energy: -148.729 bonds (distance) P-C4' energy: -149.636 flat angles C4'-P-C4' energy: -134.096 flat angles P-C4'-P energy: -65.768 tors. eta vs tors. theta energy: 34.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -710.623461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.623461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.623461 (E_RNA) where: Base-Base interactions energy: -259.560 where: short stacking energy: -174.295 Base-Backbone interact. energy: -1.373 local terms energy: -449.690306 where: bonds (distance) C4'-P energy: -138.272 bonds (distance) P-C4' energy: -145.438 flat angles C4'-P-C4' energy: -127.544 flat angles P-C4'-P energy: -60.956 tors. eta vs tors. theta energy: 22.520 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: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2800.163190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.163190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.163190 (E_RNA) where: Base-Base interactions energy: -1889.210 where: short stacking energy: -804.729 Base-Backbone interact. energy: -3.002 local terms energy: -907.951256 where: bonds (distance) C4'-P energy: -177.198 bonds (distance) P-C4' energy: -180.052 flat angles C4'-P-C4' energy: -181.612 flat angles P-C4'-P energy: -126.577 tors. eta vs tors. theta energy: -242.513 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: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2528.051657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.051657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.051657 (E_RNA) where: Base-Base interactions energy: -1658.919 where: short stacking energy: -735.780 Base-Backbone interact. energy: -5.243 local terms energy: -863.889837 where: bonds (distance) C4'-P energy: -156.539 bonds (distance) P-C4' energy: -168.939 flat angles C4'-P-C4' energy: -208.936 flat angles P-C4'-P energy: -125.630 tors. eta vs tors. theta energy: -203.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2457.034892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.034892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.034892 (E_RNA) where: Base-Base interactions energy: -1594.939 where: short stacking energy: -718.800 Base-Backbone interact. energy: -0.615 local terms energy: -861.480847 where: bonds (distance) C4'-P energy: -166.018 bonds (distance) P-C4' energy: -171.189 flat angles C4'-P-C4' energy: -179.496 flat angles P-C4'-P energy: -129.980 tors. eta vs tors. theta energy: -214.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2204.842692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.842692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.842692 (E_RNA) where: Base-Base interactions energy: -1415.649 where: short stacking energy: -643.015 Base-Backbone interact. energy: 5.902 local terms energy: -795.096429 where: bonds (distance) C4'-P energy: -165.381 bonds (distance) P-C4' energy: -153.819 flat angles C4'-P-C4' energy: -186.165 flat angles P-C4'-P energy: -109.538 tors. eta vs tors. theta energy: -180.193 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: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1909.140031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.140031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.140031 (E_RNA) where: Base-Base interactions energy: -1191.282 where: short stacking energy: -528.549 Base-Backbone interact. energy: 7.384 local terms energy: -725.242310 where: bonds (distance) C4'-P energy: -150.168 bonds (distance) P-C4' energy: -165.979 flat angles C4'-P-C4' energy: -183.139 flat angles P-C4'-P energy: -104.954 tors. eta vs tors. theta energy: -121.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1712.314398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.314398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.314398 (E_RNA) where: Base-Base interactions energy: -1025.114 where: short stacking energy: -487.747 Base-Backbone interact. energy: 0.339 local terms energy: -687.540100 where: bonds (distance) C4'-P energy: -163.129 bonds (distance) P-C4' energy: -156.184 flat angles C4'-P-C4' energy: -157.860 flat angles P-C4'-P energy: -101.266 tors. eta vs tors. theta energy: -109.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1386.829149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.829149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.829149 (E_RNA) where: Base-Base interactions energy: -786.758 where: short stacking energy: -375.305 Base-Backbone interact. energy: -1.096 local terms energy: -598.975078 where: bonds (distance) C4'-P energy: -148.718 bonds (distance) P-C4' energy: -157.419 flat angles C4'-P-C4' energy: -138.447 flat angles P-C4'-P energy: -100.653 tors. eta vs tors. theta energy: -53.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1050.749352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.749352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.749352 (E_RNA) where: Base-Base interactions energy: -518.560 where: short stacking energy: -266.312 Base-Backbone interact. energy: -1.992 local terms energy: -530.197907 where: bonds (distance) C4'-P energy: -155.462 bonds (distance) P-C4' energy: -154.183 flat angles C4'-P-C4' energy: -118.948 flat angles P-C4'-P energy: -87.770 tors. eta vs tors. theta energy: -13.834 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: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -695.743439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.743439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.743439 (E_RNA) where: Base-Base interactions energy: -214.867 where: short stacking energy: -167.171 Base-Backbone interact. energy: 3.006 local terms energy: -483.882838 where: bonds (distance) C4'-P energy: -136.176 bonds (distance) P-C4' energy: -176.430 flat angles C4'-P-C4' energy: -138.576 flat angles P-C4'-P energy: -90.595 tors. eta vs tors. theta energy: 57.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -733.666773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.666773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.666773 (E_RNA) where: Base-Base interactions energy: -274.950 where: short stacking energy: -201.806 Base-Backbone interact. energy: 6.462 local terms energy: -465.179413 where: bonds (distance) C4'-P energy: -151.300 bonds (distance) P-C4' energy: -136.843 flat angles C4'-P-C4' energy: -129.137 flat angles P-C4'-P energy: -75.988 tors. eta vs tors. theta energy: 28.088 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: 76 Temperature: 0.900000 Total energy: -2823.381533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.381533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.381533 (E_RNA) where: Base-Base interactions energy: -1867.804 where: short stacking energy: -831.999 Base-Backbone interact. energy: -3.773 local terms energy: -951.803845 where: bonds (distance) C4'-P energy: -194.386 bonds (distance) P-C4' energy: -182.852 flat angles C4'-P-C4' energy: -198.428 flat angles P-C4'-P energy: -127.676 tors. eta vs tors. theta energy: -248.462 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: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2498.565547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.565547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.565547 (E_RNA) where: Base-Base interactions energy: -1628.937 where: short stacking energy: -725.823 Base-Backbone interact. energy: -2.405 local terms energy: -867.222809 where: bonds (distance) C4'-P energy: -171.522 bonds (distance) P-C4' energy: -158.826 flat angles C4'-P-C4' energy: -197.841 flat angles P-C4'-P energy: -136.931 tors. eta vs tors. theta energy: -202.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2450.736410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.736410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.736410 (E_RNA) where: Base-Base interactions energy: -1595.853 where: short stacking energy: -761.568 Base-Backbone interact. energy: -5.799 local terms energy: -849.084347 where: bonds (distance) C4'-P energy: -156.204 bonds (distance) P-C4' energy: -164.304 flat angles C4'-P-C4' energy: -197.453 flat angles P-C4'-P energy: -108.867 tors. eta vs tors. theta energy: -222.256 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: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2276.219986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.219986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.219986 (E_RNA) where: Base-Base interactions energy: -1441.862 where: short stacking energy: -652.272 Base-Backbone interact. energy: -0.804 local terms energy: -833.553651 where: bonds (distance) C4'-P energy: -163.012 bonds (distance) P-C4' energy: -158.698 flat angles C4'-P-C4' energy: -184.944 flat angles P-C4'-P energy: -145.924 tors. eta vs tors. theta energy: -180.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1996.330741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.330741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.330741 (E_RNA) where: Base-Base interactions energy: -1244.591 where: short stacking energy: -606.149 Base-Backbone interact. energy: -3.016 local terms energy: -748.723630 where: bonds (distance) C4'-P energy: -154.999 bonds (distance) P-C4' energy: -154.560 flat angles C4'-P-C4' energy: -181.083 flat angles P-C4'-P energy: -99.638 tors. eta vs tors. theta energy: -158.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1661.160815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.160815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.160815 (E_RNA) where: Base-Base interactions energy: -986.808 where: short stacking energy: -430.404 Base-Backbone interact. energy: 3.703 local terms energy: -678.056432 where: bonds (distance) C4'-P energy: -166.551 bonds (distance) P-C4' energy: -182.617 flat angles C4'-P-C4' energy: -160.502 flat angles P-C4'-P energy: -99.175 tors. eta vs tors. theta energy: -69.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1431.559847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.559847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.559847 (E_RNA) where: Base-Base interactions energy: -806.757 where: short stacking energy: -413.944 Base-Backbone interact. energy: -3.216 local terms energy: -621.587485 where: bonds (distance) C4'-P energy: -157.361 bonds (distance) P-C4' energy: -151.526 flat angles C4'-P-C4' energy: -147.770 flat angles P-C4'-P energy: -88.985 tors. eta vs tors. theta energy: -75.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1101.625692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.625692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.625692 (E_RNA) where: Base-Base interactions energy: -555.230 where: short stacking energy: -291.057 Base-Backbone interact. energy: -0.628 local terms energy: -545.767708 where: bonds (distance) C4'-P energy: -158.683 bonds (distance) P-C4' energy: -150.386 flat angles C4'-P-C4' energy: -142.241 flat angles P-C4'-P energy: -75.035 tors. eta vs tors. theta energy: -19.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -779.974699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.974699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.974699 (E_RNA) where: Base-Base interactions energy: -321.224 where: short stacking energy: -208.707 Base-Backbone interact. energy: 2.355 local terms energy: -461.105762 where: bonds (distance) C4'-P energy: -155.755 bonds (distance) P-C4' energy: -171.875 flat angles C4'-P-C4' energy: -113.936 flat angles P-C4'-P energy: -62.271 tors. eta vs tors. theta energy: 42.732 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: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -695.903588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.903588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.903588 (E_RNA) where: Base-Base interactions energy: -282.225 where: short stacking energy: -172.801 Base-Backbone interact. energy: -2.060 local terms energy: -411.618397 where: bonds (distance) C4'-P energy: -145.198 bonds (distance) P-C4' energy: -152.587 flat angles C4'-P-C4' energy: -96.241 flat angles P-C4'-P energy: -60.514 tors. eta vs tors. theta energy: 42.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2786.918961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.918961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.918961 (E_RNA) where: Base-Base interactions energy: -1875.392 where: short stacking energy: -807.163 Base-Backbone interact. energy: -3.685 local terms energy: -907.841899 where: bonds (distance) C4'-P energy: -172.283 bonds (distance) P-C4' energy: -188.045 flat angles C4'-P-C4' energy: -193.911 flat angles P-C4'-P energy: -120.553 tors. eta vs tors. theta energy: -233.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2473.326165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.326165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.326165 (E_RNA) where: Base-Base interactions energy: -1638.498 where: short stacking energy: -711.935 Base-Backbone interact. energy: -2.802 local terms energy: -832.026021 where: bonds (distance) C4'-P energy: -174.579 bonds (distance) P-C4' energy: -176.006 flat angles C4'-P-C4' energy: -188.327 flat angles P-C4'-P energy: -109.570 tors. eta vs tors. theta energy: -183.545 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: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2456.754641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.754641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.754641 (E_RNA) where: Base-Base interactions energy: -1581.903 where: short stacking energy: -726.339 Base-Backbone interact. energy: 3.056 local terms energy: -877.906898 where: bonds (distance) C4'-P energy: -162.201 bonds (distance) P-C4' energy: -180.573 flat angles C4'-P-C4' energy: -188.709 flat angles P-C4'-P energy: -123.221 tors. eta vs tors. theta energy: -223.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2236.826193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.826193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.826193 (E_RNA) where: Base-Base interactions energy: -1442.887 where: short stacking energy: -652.506 Base-Backbone interact. energy: 1.828 local terms energy: -795.766822 where: bonds (distance) C4'-P energy: -170.919 bonds (distance) P-C4' energy: -178.127 flat angles C4'-P-C4' energy: -164.181 flat angles P-C4'-P energy: -119.322 tors. eta vs tors. theta energy: -163.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2057.974215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.974215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.974215 (E_RNA) where: Base-Base interactions energy: -1290.502 where: short stacking energy: -592.469 Base-Backbone interact. energy: -2.254 local terms energy: -765.218230 where: bonds (distance) C4'-P energy: -158.677 bonds (distance) P-C4' energy: -169.363 flat angles C4'-P-C4' energy: -177.069 flat angles P-C4'-P energy: -99.858 tors. eta vs tors. theta energy: -160.252 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: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1634.907712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.907712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.907712 (E_RNA) where: Base-Base interactions energy: -985.363 where: short stacking energy: -494.222 Base-Backbone interact. energy: 3.951 local terms energy: -653.495203 where: bonds (distance) C4'-P energy: -170.183 bonds (distance) P-C4' energy: -138.776 flat angles C4'-P-C4' energy: -164.839 flat angles P-C4'-P energy: -87.293 tors. eta vs tors. theta energy: -92.404 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: 7, replica: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1345.259269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.259269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.259269 (E_RNA) where: Base-Base interactions energy: -745.392 where: short stacking energy: -385.146 Base-Backbone interact. energy: 4.328 local terms energy: -604.195607 where: bonds (distance) C4'-P energy: -158.700 bonds (distance) P-C4' energy: -145.457 flat angles C4'-P-C4' energy: -146.099 flat angles P-C4'-P energy: -95.154 tors. eta vs tors. theta energy: -58.786 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: 8, replica: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1141.473360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.473360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.473360 (E_RNA) where: Base-Base interactions energy: -627.880 where: short stacking energy: -290.349 Base-Backbone interact. energy: 1.002 local terms energy: -514.595335 where: bonds (distance) C4'-P energy: -121.551 bonds (distance) P-C4' energy: -167.862 flat angles C4'-P-C4' energy: -141.173 flat angles P-C4'-P energy: -83.445 tors. eta vs tors. theta energy: -0.563 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: 9, replica: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -808.173834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.173834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.173834 (E_RNA) where: Base-Base interactions energy: -330.899 where: short stacking energy: -207.517 Base-Backbone interact. energy: 2.686 local terms energy: -479.960771 where: bonds (distance) C4'-P energy: -148.757 bonds (distance) P-C4' energy: -156.616 flat angles C4'-P-C4' energy: -122.332 flat angles P-C4'-P energy: -78.192 tors. eta vs tors. theta energy: 25.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -710.538273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.538273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.538273 (E_RNA) where: Base-Base interactions energy: -257.561 where: short stacking energy: -189.942 Base-Backbone interact. energy: 1.161 local terms energy: -454.138063 where: bonds (distance) C4'-P energy: -149.381 bonds (distance) P-C4' energy: -152.418 flat angles C4'-P-C4' energy: -121.265 flat angles P-C4'-P energy: -66.470 tors. eta vs tors. theta energy: 35.396 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: 1, replica: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2794.478349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.478349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.478349 (E_RNA) where: Base-Base interactions energy: -1881.345 where: short stacking energy: -790.236 Base-Backbone interact. energy: -6.535 local terms energy: -906.597962 where: bonds (distance) C4'-P energy: -166.752 bonds (distance) P-C4' energy: -180.876 flat angles C4'-P-C4' energy: -204.725 flat angles P-C4'-P energy: -129.916 tors. eta vs tors. theta energy: -224.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2537.309389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.309389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.309389 (E_RNA) where: Base-Base interactions energy: -1649.291 where: short stacking energy: -721.115 Base-Backbone interact. energy: -2.286 local terms energy: -885.731688 where: bonds (distance) C4'-P energy: -183.976 bonds (distance) P-C4' energy: -179.379 flat angles C4'-P-C4' energy: -197.798 flat angles P-C4'-P energy: -130.752 tors. eta vs tors. theta energy: -193.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2495.462842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.462842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.462842 (E_RNA) where: Base-Base interactions energy: -1601.072 where: short stacking energy: -735.021 Base-Backbone interact. energy: -3.409 local terms energy: -890.982481 where: bonds (distance) C4'-P energy: -168.549 bonds (distance) P-C4' energy: -201.099 flat angles C4'-P-C4' energy: -203.128 flat angles P-C4'-P energy: -113.271 tors. eta vs tors. theta energy: -204.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2198.110645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.110645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.110645 (E_RNA) where: Base-Base interactions energy: -1421.107 where: short stacking energy: -637.587 Base-Backbone interact. energy: 0.235 local terms energy: -777.238940 where: bonds (distance) C4'-P energy: -151.607 bonds (distance) P-C4' energy: -170.324 flat angles C4'-P-C4' energy: -180.141 flat angles P-C4'-P energy: -119.480 tors. eta vs tors. theta energy: -155.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2061.454893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.454893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.454893 (E_RNA) where: Base-Base interactions energy: -1319.475 where: short stacking energy: -595.298 Base-Backbone interact. energy: -0.052 local terms energy: -741.927668 where: bonds (distance) C4'-P energy: -135.568 bonds (distance) P-C4' energy: -167.281 flat angles C4'-P-C4' energy: -172.549 flat angles P-C4'-P energy: -114.966 tors. eta vs tors. theta energy: -151.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1702.179572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.179572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.179572 (E_RNA) where: Base-Base interactions energy: -1028.437 where: short stacking energy: -487.021 Base-Backbone interact. energy: 0.805 local terms energy: -674.547482 where: bonds (distance) C4'-P energy: -135.997 bonds (distance) P-C4' energy: -169.248 flat angles C4'-P-C4' energy: -168.430 flat angles P-C4'-P energy: -106.201 tors. eta vs tors. theta energy: -94.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1325.763622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.763622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.763622 (E_RNA) where: Base-Base interactions energy: -712.216 where: short stacking energy: -355.329 Base-Backbone interact. energy: -3.834 local terms energy: -609.713891 where: bonds (distance) C4'-P energy: -147.180 bonds (distance) P-C4' energy: -158.922 flat angles C4'-P-C4' energy: -162.051 flat angles P-C4'-P energy: -101.574 tors. eta vs tors. theta energy: -39.987 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: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1070.796327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.796327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.796327 (E_RNA) where: Base-Base interactions energy: -531.754 where: short stacking energy: -285.773 Base-Backbone interact. energy: -4.042 local terms energy: -535.000096 where: bonds (distance) C4'-P energy: -165.238 bonds (distance) P-C4' energy: -159.520 flat angles C4'-P-C4' energy: -135.079 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -845.437645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.437645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.437645 (E_RNA) where: Base-Base interactions energy: -373.217 where: short stacking energy: -220.710 Base-Backbone interact. energy: -0.108 local terms energy: -472.112460 where: bonds (distance) C4'-P energy: -140.251 bonds (distance) P-C4' energy: -150.790 flat angles C4'-P-C4' energy: -127.841 flat angles P-C4'-P energy: -69.252 tors. eta vs tors. theta energy: 16.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -772.219032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.219032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.219032 (E_RNA) where: Base-Base interactions energy: -291.237 where: short stacking energy: -205.221 Base-Backbone interact. energy: -0.264 local terms energy: -480.718379 where: bonds (distance) C4'-P energy: -141.189 bonds (distance) P-C4' energy: -170.844 flat angles C4'-P-C4' energy: -125.961 flat angles P-C4'-P energy: -60.989 tors. eta vs tors. theta energy: 18.265 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: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2806.048065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.048065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.048065 (E_RNA) where: Base-Base interactions energy: -1896.536 where: short stacking energy: -790.862 Base-Backbone interact. energy: -3.308 local terms energy: -906.204434 where: bonds (distance) C4'-P energy: -168.750 bonds (distance) P-C4' energy: -198.075 flat angles C4'-P-C4' energy: -186.779 flat angles P-C4'-P energy: -121.591 tors. eta vs tors. theta energy: -231.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2585.230482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.230482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.230482 (E_RNA) where: Base-Base interactions energy: -1705.117 where: short stacking energy: -753.899 Base-Backbone interact. energy: -4.562 local terms energy: -875.552084 where: bonds (distance) C4'-P energy: -188.125 bonds (distance) P-C4' energy: -170.146 flat angles C4'-P-C4' energy: -184.622 flat angles P-C4'-P energy: -125.447 tors. eta vs tors. theta energy: -207.212 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: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2467.279850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.279850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.279850 (E_RNA) where: Base-Base interactions energy: -1593.055 where: short stacking energy: -740.615 Base-Backbone interact. energy: -3.293 local terms energy: -870.931268 where: bonds (distance) C4'-P energy: -163.507 bonds (distance) P-C4' energy: -165.831 flat angles C4'-P-C4' energy: -206.442 flat angles P-C4'-P energy: -116.706 tors. eta vs tors. theta energy: -218.445 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: 79 Temperature: 1.050000 Total energy: -2244.039587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.039587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.039587 (E_RNA) where: Base-Base interactions energy: -1418.115 where: short stacking energy: -604.175 Base-Backbone interact. energy: 4.852 local terms energy: -830.776370 where: bonds (distance) C4'-P energy: -169.912 bonds (distance) P-C4' energy: -178.101 flat angles C4'-P-C4' energy: -199.935 flat angles P-C4'-P energy: -117.328 tors. eta vs tors. theta energy: -165.500 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: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2015.192545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.192545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.192545 (E_RNA) where: Base-Base interactions energy: -1294.097 where: short stacking energy: -570.577 Base-Backbone interact. energy: -0.831 local terms energy: -720.264439 where: bonds (distance) C4'-P energy: -150.556 bonds (distance) P-C4' energy: -159.523 flat angles C4'-P-C4' energy: -165.210 flat angles P-C4'-P energy: -102.630 tors. eta vs tors. theta energy: -142.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1608.771661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.771661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.771661 (E_RNA) where: Base-Base interactions energy: -930.058 where: short stacking energy: -439.117 Base-Backbone interact. energy: -1.778 local terms energy: -676.935159 where: bonds (distance) C4'-P energy: -158.588 bonds (distance) P-C4' energy: -152.684 flat angles C4'-P-C4' energy: -173.578 flat angles P-C4'-P energy: -106.576 tors. eta vs tors. theta energy: -85.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1337.093102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.093102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.093102 (E_RNA) where: Base-Base interactions energy: -710.032 where: short stacking energy: -369.478 Base-Backbone interact. energy: 2.285 local terms energy: -629.346214 where: bonds (distance) C4'-P energy: -157.166 bonds (distance) P-C4' energy: -160.395 flat angles C4'-P-C4' energy: -151.079 flat angles P-C4'-P energy: -102.518 tors. eta vs tors. theta energy: -58.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1057.860132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.860132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.860132 (E_RNA) where: Base-Base interactions energy: -512.744 where: short stacking energy: -301.528 Base-Backbone interact. energy: -0.985 local terms energy: -544.131052 where: bonds (distance) C4'-P energy: -168.685 bonds (distance) P-C4' energy: -162.492 flat angles C4'-P-C4' energy: -147.222 flat angles P-C4'-P energy: -56.090 tors. eta vs tors. theta energy: -9.642 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: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -794.330090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.330090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.330090 (E_RNA) where: Base-Base interactions energy: -312.762 where: short stacking energy: -213.819 Base-Backbone interact. energy: -4.743 local terms energy: -476.824611 where: bonds (distance) C4'-P energy: -142.384 bonds (distance) P-C4' energy: -153.621 flat angles C4'-P-C4' energy: -134.122 flat angles P-C4'-P energy: -74.410 tors. eta vs tors. theta energy: 27.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -721.580348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.580348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.580348 (E_RNA) where: Base-Base interactions energy: -268.810 where: short stacking energy: -165.127 Base-Backbone interact. energy: 7.228 local terms energy: -459.998907 where: bonds (distance) C4'-P energy: -137.469 bonds (distance) P-C4' energy: -169.409 flat angles C4'-P-C4' energy: -118.892 flat angles P-C4'-P energy: -79.856 tors. eta vs tors. theta energy: 45.626 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: 80 Temperature: 0.900000 Total energy: -2845.680652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.680652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.680652 (E_RNA) where: Base-Base interactions energy: -1875.144 where: short stacking energy: -819.119 Base-Backbone interact. energy: -4.807 local terms energy: -965.730025 where: bonds (distance) C4'-P energy: -195.517 bonds (distance) P-C4' energy: -191.443 flat angles C4'-P-C4' energy: -209.815 flat angles P-C4'-P energy: -132.766 tors. eta vs tors. theta energy: -236.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2596.303022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.303022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.303022 (E_RNA) where: Base-Base interactions energy: -1725.064 where: short stacking energy: -739.862 Base-Backbone interact. energy: -4.710 local terms energy: -866.529754 where: bonds (distance) C4'-P energy: -171.893 bonds (distance) P-C4' energy: -165.893 flat angles C4'-P-C4' energy: -203.894 flat angles P-C4'-P energy: -118.985 tors. eta vs tors. theta energy: -205.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2462.940945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.940945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.940945 (E_RNA) where: Base-Base interactions energy: -1606.628 where: short stacking energy: -742.939 Base-Backbone interact. energy: -0.678 local terms energy: -855.634672 where: bonds (distance) C4'-P energy: -138.117 bonds (distance) P-C4' energy: -177.358 flat angles C4'-P-C4' energy: -197.402 flat angles P-C4'-P energy: -125.180 tors. eta vs tors. theta energy: -217.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2221.662324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.662324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.662324 (E_RNA) where: Base-Base interactions energy: -1433.182 where: short stacking energy: -663.210 Base-Backbone interact. energy: -4.578 local terms energy: -783.902471 where: bonds (distance) C4'-P energy: -162.998 bonds (distance) P-C4' energy: -182.350 flat angles C4'-P-C4' energy: -180.831 flat angles P-C4'-P energy: -102.269 tors. eta vs tors. theta energy: -155.455 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: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2019.471948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.471948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.471948 (E_RNA) where: Base-Base interactions energy: -1244.727 where: short stacking energy: -591.654 Base-Backbone interact. energy: -2.462 local terms energy: -772.282316 where: bonds (distance) C4'-P energy: -180.600 bonds (distance) P-C4' energy: -163.652 flat angles C4'-P-C4' energy: -160.992 flat angles P-C4'-P energy: -109.396 tors. eta vs tors. theta energy: -157.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1770.084940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.084940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.084940 (E_RNA) where: Base-Base interactions energy: -1084.439 where: short stacking energy: -469.654 Base-Backbone interact. energy: 0.672 local terms energy: -686.317223 where: bonds (distance) C4'-P energy: -161.756 bonds (distance) P-C4' energy: -163.687 flat angles C4'-P-C4' energy: -157.256 flat angles P-C4'-P energy: -93.574 tors. eta vs tors. theta energy: -110.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1299.994648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.994648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.994648 (E_RNA) where: Base-Base interactions energy: -717.105 where: short stacking energy: -373.673 Base-Backbone interact. energy: -2.010 local terms energy: -580.880016 where: bonds (distance) C4'-P energy: -162.452 bonds (distance) P-C4' energy: -149.845 flat angles C4'-P-C4' energy: -145.490 flat angles P-C4'-P energy: -68.901 tors. eta vs tors. theta energy: -54.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1040.455005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.455005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.455005 (E_RNA) where: Base-Base interactions energy: -541.231 where: short stacking energy: -298.290 Base-Backbone interact. energy: 0.519 local terms energy: -499.742854 where: bonds (distance) C4'-P energy: -125.851 bonds (distance) P-C4' energy: -162.250 flat angles C4'-P-C4' energy: -142.299 flat angles P-C4'-P energy: -66.333 tors. eta vs tors. theta energy: -3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -806.076412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.076412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.076412 (E_RNA) where: Base-Base interactions energy: -346.848 where: short stacking energy: -226.586 Base-Backbone interact. energy: 7.124 local terms energy: -466.352770 where: bonds (distance) C4'-P energy: -142.358 bonds (distance) P-C4' energy: -141.931 flat angles C4'-P-C4' energy: -127.956 flat angles P-C4'-P energy: -68.963 tors. eta vs tors. theta energy: 14.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -708.156188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.156188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.156188 (E_RNA) where: Base-Base interactions energy: -264.486 where: short stacking energy: -176.660 Base-Backbone interact. energy: 13.199 local terms energy: -456.869310 where: bonds (distance) C4'-P energy: -144.706 bonds (distance) P-C4' energy: -173.121 flat angles C4'-P-C4' energy: -122.000 flat angles P-C4'-P energy: -59.649 tors. eta vs tors. theta energy: 42.607 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: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2909.007503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.007503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.007503 (E_RNA) where: Base-Base interactions energy: -1939.012 where: short stacking energy: -840.725 Base-Backbone interact. energy: -6.792 local terms energy: -963.203738 where: bonds (distance) C4'-P energy: -189.013 bonds (distance) P-C4' energy: -177.318 flat angles C4'-P-C4' energy: -211.830 flat angles P-C4'-P energy: -133.639 tors. eta vs tors. theta energy: -251.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2559.389501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.389501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.389501 (E_RNA) where: Base-Base interactions energy: -1667.526 where: short stacking energy: -732.837 Base-Backbone interact. energy: 2.583 local terms energy: -894.446504 where: bonds (distance) C4'-P energy: -168.337 bonds (distance) P-C4' energy: -174.149 flat angles C4'-P-C4' energy: -199.146 flat angles P-C4'-P energy: -134.933 tors. eta vs tors. theta energy: -217.881 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: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2460.056667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.056667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.056667 (E_RNA) where: Base-Base interactions energy: -1601.504 where: short stacking energy: -727.934 Base-Backbone interact. energy: 1.603 local terms energy: -860.155363 where: bonds (distance) C4'-P energy: -165.774 bonds (distance) P-C4' energy: -171.551 flat angles C4'-P-C4' energy: -198.876 flat angles P-C4'-P energy: -131.171 tors. eta vs tors. theta energy: -192.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2255.054255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.054255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.054255 (E_RNA) where: Base-Base interactions energy: -1459.212 where: short stacking energy: -610.781 Base-Backbone interact. energy: -4.532 local terms energy: -791.309940 where: bonds (distance) C4'-P energy: -172.641 bonds (distance) P-C4' energy: -179.463 flat angles C4'-P-C4' energy: -181.175 flat angles P-C4'-P energy: -110.506 tors. eta vs tors. theta energy: -147.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2017.902891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.902891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.902891 (E_RNA) where: Base-Base interactions energy: -1237.946 where: short stacking energy: -557.764 Base-Backbone interact. energy: -0.026 local terms energy: -779.930886 where: bonds (distance) C4'-P energy: -182.532 bonds (distance) P-C4' energy: -162.383 flat angles C4'-P-C4' energy: -187.893 flat angles P-C4'-P energy: -113.746 tors. eta vs tors. theta energy: -133.378 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: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1749.983714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.983714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.983714 (E_RNA) where: Base-Base interactions energy: -1090.878 where: short stacking energy: -453.129 Base-Backbone interact. energy: -0.903 local terms energy: -658.202280 where: bonds (distance) C4'-P energy: -167.529 bonds (distance) P-C4' energy: -154.120 flat angles C4'-P-C4' energy: -170.508 flat angles P-C4'-P energy: -80.194 tors. eta vs tors. theta energy: -85.852 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: 5 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1361.925878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.925878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.925878 (E_RNA) where: Base-Base interactions energy: -752.798 where: short stacking energy: -379.467 Base-Backbone interact. energy: -2.616 local terms energy: -606.511524 where: bonds (distance) C4'-P energy: -146.822 bonds (distance) P-C4' energy: -152.422 flat angles C4'-P-C4' energy: -161.142 flat angles P-C4'-P energy: -97.633 tors. eta vs tors. theta energy: -48.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1049.183448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.183448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.183448 (E_RNA) where: Base-Base interactions energy: -497.499 where: short stacking energy: -248.419 Base-Backbone interact. energy: 5.043 local terms energy: -556.727798 where: bonds (distance) C4'-P energy: -176.084 bonds (distance) P-C4' energy: -150.909 flat angles C4'-P-C4' energy: -138.563 flat angles P-C4'-P energy: -85.559 tors. eta vs tors. theta energy: -5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -797.961020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.961020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.961020 (E_RNA) where: Base-Base interactions energy: -320.361 where: short stacking energy: -233.262 Base-Backbone interact. energy: 0.609 local terms energy: -478.209672 where: bonds (distance) C4'-P energy: -146.795 bonds (distance) P-C4' energy: -152.181 flat angles C4'-P-C4' energy: -114.689 flat angles P-C4'-P energy: -86.178 tors. eta vs tors. theta energy: 21.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -748.754696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.754696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.754696 (E_RNA) where: Base-Base interactions energy: -302.585 where: short stacking energy: -174.532 Base-Backbone interact. energy: -0.767 local terms energy: -445.403225 where: bonds (distance) C4'-P energy: -148.328 bonds (distance) P-C4' energy: -134.375 flat angles C4'-P-C4' energy: -120.130 flat angles P-C4'-P energy: -83.525 tors. eta vs tors. theta energy: 40.954 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: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2803.932239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.932239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.932239 (E_RNA) where: Base-Base interactions energy: -1881.042 where: short stacking energy: -807.831 Base-Backbone interact. energy: 1.747 local terms energy: -924.636535 where: bonds (distance) C4'-P energy: -174.672 bonds (distance) P-C4' energy: -162.810 flat angles C4'-P-C4' energy: -211.099 flat angles P-C4'-P energy: -137.282 tors. eta vs tors. theta energy: -238.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2566.792141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.792141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.792141 (E_RNA) where: Base-Base interactions energy: -1700.776 where: short stacking energy: -752.456 Base-Backbone interact. energy: -2.657 local terms energy: -863.358629 where: bonds (distance) C4'-P energy: -171.607 bonds (distance) P-C4' energy: -177.049 flat angles C4'-P-C4' energy: -199.876 flat angles P-C4'-P energy: -122.528 tors. eta vs tors. theta energy: -192.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2363.957525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.957525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.957525 (E_RNA) where: Base-Base interactions energy: -1548.029 where: short stacking energy: -701.093 Base-Backbone interact. energy: 1.469 local terms energy: -817.397368 where: bonds (distance) C4'-P energy: -163.722 bonds (distance) P-C4' energy: -186.615 flat angles C4'-P-C4' energy: -170.095 flat angles P-C4'-P energy: -99.810 tors. eta vs tors. theta energy: -197.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2257.006005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.006005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.006005 (E_RNA) where: Base-Base interactions energy: -1438.042 where: short stacking energy: -637.792 Base-Backbone interact. energy: 5.350 local terms energy: -824.313894 where: bonds (distance) C4'-P energy: -170.321 bonds (distance) P-C4' energy: -177.791 flat angles C4'-P-C4' energy: -175.954 flat angles P-C4'-P energy: -128.977 tors. eta vs tors. theta energy: -171.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2002.059157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.059157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.059157 (E_RNA) where: Base-Base interactions energy: -1270.331 where: short stacking energy: -558.308 Base-Backbone interact. energy: -1.077 local terms energy: -730.652010 where: bonds (distance) C4'-P energy: -152.147 bonds (distance) P-C4' energy: -152.847 flat angles C4'-P-C4' energy: -171.251 flat angles P-C4'-P energy: -114.829 tors. eta vs tors. theta energy: -139.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1727.664629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.664629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.664629 (E_RNA) where: Base-Base interactions energy: -1076.518 where: short stacking energy: -480.873 Base-Backbone interact. energy: -0.716 local terms energy: -650.429830 where: bonds (distance) C4'-P energy: -155.137 bonds (distance) P-C4' energy: -168.624 flat angles C4'-P-C4' energy: -167.227 flat angles P-C4'-P energy: -79.446 tors. eta vs tors. theta energy: -79.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1369.713711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.713711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.713711 (E_RNA) where: Base-Base interactions energy: -766.397 where: short stacking energy: -374.340 Base-Backbone interact. energy: 0.820 local terms energy: -604.136628 where: bonds (distance) C4'-P energy: -139.694 bonds (distance) P-C4' energy: -166.941 flat angles C4'-P-C4' energy: -164.935 flat angles P-C4'-P energy: -91.225 tors. eta vs tors. theta energy: -41.342 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: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1061.641962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.641962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.641962 (E_RNA) where: Base-Base interactions energy: -547.633 where: short stacking energy: -271.293 Base-Backbone interact. energy: -1.570 local terms energy: -512.438560 where: bonds (distance) C4'-P energy: -136.649 bonds (distance) P-C4' energy: -167.543 flat angles C4'-P-C4' energy: -122.636 flat angles P-C4'-P energy: -75.975 tors. eta vs tors. theta energy: -9.635 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: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -886.530762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.530762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.530762 (E_RNA) where: Base-Base interactions energy: -391.339 where: short stacking energy: -237.553 Base-Backbone interact. energy: 1.303 local terms energy: -496.494288 where: bonds (distance) C4'-P energy: -155.829 bonds (distance) P-C4' energy: -148.605 flat angles C4'-P-C4' energy: -141.269 flat angles P-C4'-P energy: -64.991 tors. eta vs tors. theta energy: 14.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -748.918721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.918721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.918721 (E_RNA) where: Base-Base interactions energy: -300.021 where: short stacking energy: -190.868 Base-Backbone interact. energy: -3.054 local terms energy: -445.843761 where: bonds (distance) C4'-P energy: -142.645 bonds (distance) P-C4' energy: -136.167 flat angles C4'-P-C4' energy: -107.137 flat angles P-C4'-P energy: -80.895 tors. eta vs tors. theta energy: 21.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2805.485435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.485435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.485435 (E_RNA) where: Base-Base interactions energy: -1884.998 where: short stacking energy: -807.780 Base-Backbone interact. energy: -5.096 local terms energy: -915.391122 where: bonds (distance) C4'-P energy: -167.917 bonds (distance) P-C4' energy: -180.125 flat angles C4'-P-C4' energy: -199.441 flat angles P-C4'-P energy: -134.482 tors. eta vs tors. theta energy: -233.426 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: 6 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2552.193104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.193104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.193104 (E_RNA) where: Base-Base interactions energy: -1638.766 where: short stacking energy: -723.575 Base-Backbone interact. energy: 2.474 local terms energy: -915.901127 where: bonds (distance) C4'-P energy: -188.171 bonds (distance) P-C4' energy: -181.146 flat angles C4'-P-C4' energy: -211.654 flat angles P-C4'-P energy: -136.088 tors. eta vs tors. theta energy: -198.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2391.868087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.868087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.868087 (E_RNA) where: Base-Base interactions energy: -1552.005 where: short stacking energy: -707.547 Base-Backbone interact. energy: -2.447 local terms energy: -837.416940 where: bonds (distance) C4'-P energy: -151.618 bonds (distance) P-C4' energy: -185.412 flat angles C4'-P-C4' energy: -181.369 flat angles P-C4'-P energy: -130.645 tors. eta vs tors. theta energy: -188.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2236.365924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.365924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.365924 (E_RNA) where: Base-Base interactions energy: -1440.157 where: short stacking energy: -646.424 Base-Backbone interact. energy: -4.200 local terms energy: -792.008971 where: bonds (distance) C4'-P energy: -151.716 bonds (distance) P-C4' energy: -177.415 flat angles C4'-P-C4' energy: -180.714 flat angles P-C4'-P energy: -114.919 tors. eta vs tors. theta energy: -167.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2013.173091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.173091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.173091 (E_RNA) where: Base-Base interactions energy: -1269.611 where: short stacking energy: -555.263 Base-Backbone interact. energy: -0.487 local terms energy: -743.074464 where: bonds (distance) C4'-P energy: -164.311 bonds (distance) P-C4' energy: -153.048 flat angles C4'-P-C4' energy: -174.976 flat angles P-C4'-P energy: -130.703 tors. eta vs tors. theta energy: -120.036 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: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1810.391705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.391705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.391705 (E_RNA) where: Base-Base interactions energy: -1082.756 where: short stacking energy: -486.763 Base-Backbone interact. energy: -3.737 local terms energy: -723.898877 where: bonds (distance) C4'-P energy: -160.984 bonds (distance) P-C4' energy: -163.549 flat angles C4'-P-C4' energy: -166.955 flat angles P-C4'-P energy: -109.621 tors. eta vs tors. theta energy: -122.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1300.992041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.992041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.992041 (E_RNA) where: Base-Base interactions energy: -713.643 where: short stacking energy: -347.328 Base-Backbone interact. energy: -1.905 local terms energy: -585.443248 where: bonds (distance) C4'-P energy: -138.425 bonds (distance) P-C4' energy: -160.774 flat angles C4'-P-C4' energy: -158.897 flat angles P-C4'-P energy: -92.436 tors. eta vs tors. theta energy: -34.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1114.136735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.136735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.136735 (E_RNA) where: Base-Base interactions energy: -529.135 where: short stacking energy: -285.281 Base-Backbone interact. energy: 4.942 local terms energy: -589.943684 where: bonds (distance) C4'-P energy: -150.688 bonds (distance) P-C4' energy: -177.943 flat angles C4'-P-C4' energy: -136.436 flat angles P-C4'-P energy: -107.061 tors. eta vs tors. theta energy: -17.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -815.435011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.435011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.435011 (E_RNA) where: Base-Base interactions energy: -308.110 where: short stacking energy: -212.844 Base-Backbone interact. energy: 15.200 local terms energy: -522.524944 where: bonds (distance) C4'-P energy: -139.635 bonds (distance) P-C4' energy: -148.120 flat angles C4'-P-C4' energy: -136.495 flat angles P-C4'-P energy: -93.618 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -737.202736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.202736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.202736 (E_RNA) where: Base-Base interactions energy: -271.300 where: short stacking energy: -190.079 Base-Backbone interact. energy: 0.972 local terms energy: -466.875073 where: bonds (distance) C4'-P energy: -154.565 bonds (distance) P-C4' energy: -155.797 flat angles C4'-P-C4' energy: -129.454 flat angles P-C4'-P energy: -57.173 tors. eta vs tors. theta energy: 30.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2832.608152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.608152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.608152 (E_RNA) where: Base-Base interactions energy: -1869.180 where: short stacking energy: -813.667 Base-Backbone interact. energy: -5.245 local terms energy: -958.183198 where: bonds (distance) C4'-P energy: -186.411 bonds (distance) P-C4' energy: -175.059 flat angles C4'-P-C4' energy: -211.285 flat angles P-C4'-P energy: -139.879 tors. eta vs tors. theta energy: -245.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2591.510142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.510142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.510142 (E_RNA) where: Base-Base interactions energy: -1685.728 where: short stacking energy: -743.219 Base-Backbone interact. energy: -3.375 local terms energy: -902.406802 where: bonds (distance) C4'-P energy: -162.948 bonds (distance) P-C4' energy: -191.060 flat angles C4'-P-C4' energy: -207.851 flat angles P-C4'-P energy: -134.521 tors. eta vs tors. theta energy: -206.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2347.766756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.766756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.766756 (E_RNA) where: Base-Base interactions energy: -1495.394 where: short stacking energy: -677.652 Base-Backbone interact. energy: -5.589 local terms energy: -846.784297 where: bonds (distance) C4'-P energy: -175.171 bonds (distance) P-C4' energy: -182.250 flat angles C4'-P-C4' energy: -185.111 flat angles P-C4'-P energy: -130.011 tors. eta vs tors. theta energy: -174.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2240.199971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.199971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.199971 (E_RNA) where: Base-Base interactions energy: -1440.980 where: short stacking energy: -660.601 Base-Backbone interact. energy: -4.287 local terms energy: -794.932259 where: bonds (distance) C4'-P energy: -162.984 bonds (distance) P-C4' energy: -167.929 flat angles C4'-P-C4' energy: -164.502 flat angles P-C4'-P energy: -121.383 tors. eta vs tors. theta energy: -178.135 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: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1968.385019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.385019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.385019 (E_RNA) where: Base-Base interactions energy: -1234.099 where: short stacking energy: -603.063 Base-Backbone interact. energy: 0.358 local terms energy: -734.644135 where: bonds (distance) C4'-P energy: -157.155 bonds (distance) P-C4' energy: -177.657 flat angles C4'-P-C4' energy: -154.581 flat angles P-C4'-P energy: -100.122 tors. eta vs tors. theta energy: -145.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1858.727172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.727172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.727172 (E_RNA) where: Base-Base interactions energy: -1134.523 where: short stacking energy: -492.958 Base-Backbone interact. energy: -2.228 local terms energy: -721.976693 where: bonds (distance) C4'-P energy: -172.409 bonds (distance) P-C4' energy: -163.373 flat angles C4'-P-C4' energy: -182.665 flat angles P-C4'-P energy: -119.143 tors. eta vs tors. theta energy: -84.387 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: 84 Temperature: 1.200000 Total energy: -1342.415223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.415223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.415223 (E_RNA) where: Base-Base interactions energy: -731.206 where: short stacking energy: -365.377 Base-Backbone interact. energy: 2.746 local terms energy: -613.955480 where: bonds (distance) C4'-P energy: -147.272 bonds (distance) P-C4' energy: -155.255 flat angles C4'-P-C4' energy: -154.363 flat angles P-C4'-P energy: -100.087 tors. eta vs tors. theta energy: -56.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1089.764759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.764759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.764759 (E_RNA) where: Base-Base interactions energy: -561.703 where: short stacking energy: -310.270 Base-Backbone interact. energy: -0.665 local terms energy: -527.396897 where: bonds (distance) C4'-P energy: -133.971 bonds (distance) P-C4' energy: -178.539 flat angles C4'-P-C4' energy: -121.242 flat angles P-C4'-P energy: -83.226 tors. eta vs tors. theta energy: -10.420 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: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -821.059811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.059811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.059811 (E_RNA) where: Base-Base interactions energy: -340.972 where: short stacking energy: -230.610 Base-Backbone interact. energy: 2.316 local terms energy: -482.403880 where: bonds (distance) C4'-P energy: -125.093 bonds (distance) P-C4' energy: -144.936 flat angles C4'-P-C4' energy: -149.145 flat angles P-C4'-P energy: -61.346 tors. eta vs tors. theta energy: -1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -706.009211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.009211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.009211 (E_RNA) where: Base-Base interactions energy: -265.966 where: short stacking energy: -193.499 Base-Backbone interact. energy: -2.091 local terms energy: -437.952716 where: bonds (distance) C4'-P energy: -123.156 bonds (distance) P-C4' energy: -146.547 flat angles C4'-P-C4' energy: -127.334 flat angles P-C4'-P energy: -74.571 tors. eta vs tors. theta energy: 33.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2847.095003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.095003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.095003 (E_RNA) where: Base-Base interactions energy: -1896.419 where: short stacking energy: -798.721 Base-Backbone interact. energy: -1.188 local terms energy: -949.487087 where: bonds (distance) C4'-P energy: -178.236 bonds (distance) P-C4' energy: -190.189 flat angles C4'-P-C4' energy: -195.395 flat angles P-C4'-P energy: -152.608 tors. eta vs tors. theta energy: -233.059 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: 6 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2591.552032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.552032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.552032 (E_RNA) where: Base-Base interactions energy: -1675.211 where: short stacking energy: -756.781 Base-Backbone interact. energy: -3.328 local terms energy: -913.012649 where: bonds (distance) C4'-P energy: -177.403 bonds (distance) P-C4' energy: -196.564 flat angles C4'-P-C4' energy: -196.489 flat angles P-C4'-P energy: -129.967 tors. eta vs tors. theta energy: -212.590 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: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2358.579132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.579132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.579132 (E_RNA) where: Base-Base interactions energy: -1501.752 where: short stacking energy: -687.253 Base-Backbone interact. energy: -2.413 local terms energy: -854.413914 where: bonds (distance) C4'-P energy: -173.019 bonds (distance) P-C4' energy: -181.780 flat angles C4'-P-C4' energy: -175.232 flat angles P-C4'-P energy: -125.494 tors. eta vs tors. theta energy: -198.888 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: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2233.479833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.479833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.479833 (E_RNA) where: Base-Base interactions energy: -1434.963 where: short stacking energy: -630.308 Base-Backbone interact. energy: 0.851 local terms energy: -799.368149 where: bonds (distance) C4'-P energy: -149.337 bonds (distance) P-C4' energy: -177.211 flat angles C4'-P-C4' energy: -183.079 flat angles P-C4'-P energy: -115.531 tors. eta vs tors. theta energy: -174.209 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: 85 Temperature: 1.100000 Total energy: -2004.518920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.518920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.518920 (E_RNA) where: Base-Base interactions energy: -1250.080 where: short stacking energy: -550.281 Base-Backbone interact. energy: -2.955 local terms energy: -751.483519 where: bonds (distance) C4'-P energy: -160.668 bonds (distance) P-C4' energy: -160.150 flat angles C4'-P-C4' energy: -182.801 flat angles P-C4'-P energy: -102.649 tors. eta vs tors. theta energy: -145.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1826.805509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.805509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.805509 (E_RNA) where: Base-Base interactions energy: -1123.823 where: short stacking energy: -495.251 Base-Backbone interact. energy: -2.137 local terms energy: -700.845007 where: bonds (distance) C4'-P energy: -165.102 bonds (distance) P-C4' energy: -167.071 flat angles C4'-P-C4' energy: -146.654 flat angles P-C4'-P energy: -104.633 tors. eta vs tors. theta energy: -117.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1331.989729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.989729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.989729 (E_RNA) where: Base-Base interactions energy: -712.609 where: short stacking energy: -375.024 Base-Backbone interact. energy: -2.927 local terms energy: -616.453222 where: bonds (distance) C4'-P energy: -143.961 bonds (distance) P-C4' energy: -154.684 flat angles C4'-P-C4' energy: -154.895 flat angles P-C4'-P energy: -87.129 tors. eta vs tors. theta energy: -75.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1128.801530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.801530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.801530 (E_RNA) where: Base-Base interactions energy: -566.411 where: short stacking energy: -305.663 Base-Backbone interact. energy: 3.130 local terms energy: -565.520203 where: bonds (distance) C4'-P energy: -156.086 bonds (distance) P-C4' energy: -159.887 flat angles C4'-P-C4' energy: -143.286 flat angles P-C4'-P energy: -102.578 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -855.988295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.988295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.988295 (E_RNA) where: Base-Base interactions energy: -374.006 where: short stacking energy: -233.282 Base-Backbone interact. energy: 5.944 local terms energy: -487.926113 where: bonds (distance) C4'-P energy: -131.006 bonds (distance) P-C4' energy: -163.030 flat angles C4'-P-C4' energy: -134.524 flat angles P-C4'-P energy: -80.316 tors. eta vs tors. theta energy: 20.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -673.760740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.760740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.760740 (E_RNA) where: Base-Base interactions energy: -219.878 where: short stacking energy: -145.757 Base-Backbone interact. energy: 2.734 local terms energy: -456.615896 where: bonds (distance) C4'-P energy: -145.770 bonds (distance) P-C4' energy: -137.369 flat angles C4'-P-C4' energy: -111.925 flat angles P-C4'-P energy: -97.303 tors. eta vs tors. theta energy: 35.751 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: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2869.362037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.362037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.362037 (E_RNA) where: Base-Base interactions energy: -1907.489 where: short stacking energy: -797.534 Base-Backbone interact. energy: -5.121 local terms energy: -956.751435 where: bonds (distance) C4'-P energy: -173.030 bonds (distance) P-C4' energy: -180.716 flat angles C4'-P-C4' energy: -215.484 flat angles P-C4'-P energy: -141.673 tors. eta vs tors. theta energy: -245.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2623.548893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.548893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.548893 (E_RNA) where: Base-Base interactions energy: -1707.374 where: short stacking energy: -738.291 Base-Backbone interact. energy: -1.894 local terms energy: -914.281020 where: bonds (distance) C4'-P energy: -190.205 bonds (distance) P-C4' energy: -187.528 flat angles C4'-P-C4' energy: -198.813 flat angles P-C4'-P energy: -130.399 tors. eta vs tors. theta energy: -207.336 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: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2372.164997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.164997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.164997 (E_RNA) where: Base-Base interactions energy: -1516.687 where: short stacking energy: -694.311 Base-Backbone interact. energy: 3.485 local terms energy: -858.963313 where: bonds (distance) C4'-P energy: -174.076 bonds (distance) P-C4' energy: -196.199 flat angles C4'-P-C4' energy: -169.821 flat angles P-C4'-P energy: -134.037 tors. eta vs tors. theta energy: -184.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2215.729961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.729961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.729961 (E_RNA) where: Base-Base interactions energy: -1415.608 where: short stacking energy: -642.432 Base-Backbone interact. energy: 1.702 local terms energy: -801.823747 where: bonds (distance) C4'-P energy: -169.637 bonds (distance) P-C4' energy: -183.296 flat angles C4'-P-C4' energy: -175.243 flat angles P-C4'-P energy: -105.313 tors. eta vs tors. theta energy: -168.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2013.944553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.944553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.944553 (E_RNA) where: Base-Base interactions energy: -1288.061 where: short stacking energy: -567.995 Base-Backbone interact. energy: -0.705 local terms energy: -725.178503 where: bonds (distance) C4'-P energy: -145.390 bonds (distance) P-C4' energy: -161.009 flat angles C4'-P-C4' energy: -154.950 flat angles P-C4'-P energy: -105.911 tors. eta vs tors. theta energy: -157.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1788.609039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.609039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.609039 (E_RNA) where: Base-Base interactions energy: -1086.016 where: short stacking energy: -490.783 Base-Backbone interact. energy: -2.730 local terms energy: -699.862594 where: bonds (distance) C4'-P energy: -166.308 bonds (distance) P-C4' energy: -154.614 flat angles C4'-P-C4' energy: -169.321 flat angles P-C4'-P energy: -102.613 tors. eta vs tors. theta energy: -107.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1275.856519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.856519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.856519 (E_RNA) where: Base-Base interactions energy: -700.769 where: short stacking energy: -380.207 Base-Backbone interact. energy: 1.043 local terms energy: -576.130707 where: bonds (distance) C4'-P energy: -149.786 bonds (distance) P-C4' energy: -154.463 flat angles C4'-P-C4' energy: -147.127 flat angles P-C4'-P energy: -76.611 tors. eta vs tors. theta energy: -48.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1035.724259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.724259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.724259 (E_RNA) where: Base-Base interactions energy: -501.934 where: short stacking energy: -272.827 Base-Backbone interact. energy: -4.067 local terms energy: -529.723052 where: bonds (distance) C4'-P energy: -148.318 bonds (distance) P-C4' energy: -158.972 flat angles C4'-P-C4' energy: -147.918 flat angles P-C4'-P energy: -74.193 tors. eta vs tors. theta energy: -0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -818.684765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.684765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.684765 (E_RNA) where: Base-Base interactions energy: -356.704 where: short stacking energy: -230.590 Base-Backbone interact. energy: 1.220 local terms energy: -463.201154 where: bonds (distance) C4'-P energy: -120.404 bonds (distance) P-C4' energy: -154.481 flat angles C4'-P-C4' energy: -140.658 flat angles P-C4'-P energy: -85.467 tors. eta vs tors. theta energy: 37.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -703.573922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.573922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.573922 (E_RNA) where: Base-Base interactions energy: -256.572 where: short stacking energy: -201.036 Base-Backbone interact. energy: -0.427 local terms energy: -446.574003 where: bonds (distance) C4'-P energy: -139.664 bonds (distance) P-C4' energy: -158.718 flat angles C4'-P-C4' energy: -108.198 flat angles P-C4'-P energy: -73.577 tors. eta vs tors. theta energy: 33.583 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: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2860.086519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.086519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.086519 (E_RNA) where: Base-Base interactions energy: -1914.385 where: short stacking energy: -806.030 Base-Backbone interact. energy: -4.466 local terms energy: -941.235960 where: bonds (distance) C4'-P energy: -172.343 bonds (distance) P-C4' energy: -188.258 flat angles C4'-P-C4' energy: -204.215 flat angles P-C4'-P energy: -134.989 tors. eta vs tors. theta energy: -241.431 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: 2, replica: 6 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2571.253602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.253602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.253602 (E_RNA) where: Base-Base interactions energy: -1693.876 where: short stacking energy: -706.134 Base-Backbone interact. energy: 1.376 local terms energy: -878.754150 where: bonds (distance) C4'-P energy: -158.778 bonds (distance) P-C4' energy: -184.847 flat angles C4'-P-C4' energy: -204.958 flat angles P-C4'-P energy: -119.256 tors. eta vs tors. theta energy: -210.914 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: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2406.714973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.714973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.714973 (E_RNA) where: Base-Base interactions energy: -1564.297 where: short stacking energy: -687.859 Base-Backbone interact. energy: 0.515 local terms energy: -842.932645 where: bonds (distance) C4'-P energy: -177.809 bonds (distance) P-C4' energy: -189.904 flat angles C4'-P-C4' energy: -178.154 flat angles P-C4'-P energy: -115.221 tors. eta vs tors. theta energy: -181.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2240.828191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.828191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.828191 (E_RNA) where: Base-Base interactions energy: -1401.385 where: short stacking energy: -667.116 Base-Backbone interact. energy: -2.490 local terms energy: -836.952920 where: bonds (distance) C4'-P energy: -183.872 bonds (distance) P-C4' energy: -178.054 flat angles C4'-P-C4' energy: -199.038 flat angles P-C4'-P energy: -102.635 tors. eta vs tors. theta energy: -173.353 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: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2006.880974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.880974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.880974 (E_RNA) where: Base-Base interactions energy: -1283.420 where: short stacking energy: -577.791 Base-Backbone interact. energy: -3.570 local terms energy: -719.891568 where: bonds (distance) C4'-P energy: -150.897 bonds (distance) P-C4' energy: -169.612 flat angles C4'-P-C4' energy: -146.522 flat angles P-C4'-P energy: -100.558 tors. eta vs tors. theta energy: -152.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1755.142406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.142406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.142406 (E_RNA) where: Base-Base interactions energy: -1053.807 where: short stacking energy: -485.416 Base-Backbone interact. energy: -4.722 local terms energy: -696.613451 where: bonds (distance) C4'-P energy: -151.404 bonds (distance) P-C4' energy: -183.996 flat angles C4'-P-C4' energy: -155.536 flat angles P-C4'-P energy: -99.022 tors. eta vs tors. theta energy: -106.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1284.984581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.984581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.984581 (E_RNA) where: Base-Base interactions energy: -696.952 where: short stacking energy: -358.177 Base-Backbone interact. energy: -1.950 local terms energy: -586.082800 where: bonds (distance) C4'-P energy: -153.920 bonds (distance) P-C4' energy: -161.631 flat angles C4'-P-C4' energy: -156.185 flat angles P-C4'-P energy: -64.186 tors. eta vs tors. theta energy: -50.160 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: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1159.144715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.144715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.144715 (E_RNA) where: Base-Base interactions energy: -595.333 where: short stacking energy: -344.554 Base-Backbone interact. energy: -1.237 local terms energy: -562.575023 where: bonds (distance) C4'-P energy: -154.392 bonds (distance) P-C4' energy: -139.799 flat angles C4'-P-C4' energy: -142.608 flat angles P-C4'-P energy: -81.830 tors. eta vs tors. theta energy: -43.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -804.222903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.222903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.222903 (E_RNA) where: Base-Base interactions energy: -337.759 where: short stacking energy: -244.845 Base-Backbone interact. energy: -2.676 local terms energy: -463.788303 where: bonds (distance) C4'-P energy: -137.914 bonds (distance) P-C4' energy: -153.391 flat angles C4'-P-C4' energy: -112.974 flat angles P-C4'-P energy: -72.230 tors. eta vs tors. theta energy: 12.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -680.268417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.268417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.268417 (E_RNA) where: Base-Base interactions energy: -251.426 where: short stacking energy: -168.811 Base-Backbone interact. energy: 2.345 local terms energy: -431.187388 where: bonds (distance) C4'-P energy: -147.343 bonds (distance) P-C4' energy: -152.663 flat angles C4'-P-C4' energy: -132.989 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: 38.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2875.352473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.352473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.352473 (E_RNA) where: Base-Base interactions energy: -1931.047 where: short stacking energy: -829.666 Base-Backbone interact. energy: -0.304 local terms energy: -944.000912 where: bonds (distance) C4'-P energy: -171.722 bonds (distance) P-C4' energy: -177.843 flat angles C4'-P-C4' energy: -216.254 flat angles P-C4'-P energy: -147.922 tors. eta vs tors. theta energy: -230.260 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: 2, replica: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2604.892586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.892586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.892586 (E_RNA) where: Base-Base interactions energy: -1707.396 where: short stacking energy: -750.101 Base-Backbone interact. energy: -4.635 local terms energy: -892.861416 where: bonds (distance) C4'-P energy: -176.704 bonds (distance) P-C4' energy: -179.530 flat angles C4'-P-C4' energy: -194.361 flat angles P-C4'-P energy: -134.789 tors. eta vs tors. theta energy: -207.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2372.510406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.510406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.510406 (E_RNA) where: Base-Base interactions energy: -1529.948 where: short stacking energy: -662.712 Base-Backbone interact. energy: -4.746 local terms energy: -837.816924 where: bonds (distance) C4'-P energy: -168.665 bonds (distance) P-C4' energy: -174.333 flat angles C4'-P-C4' energy: -190.504 flat angles P-C4'-P energy: -121.859 tors. eta vs tors. theta energy: -182.455 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: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2279.754639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.754639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.754639 (E_RNA) where: Base-Base interactions energy: -1465.972 where: short stacking energy: -667.762 Base-Backbone interact. energy: 1.188 local terms energy: -814.970749 where: bonds (distance) C4'-P energy: -171.054 bonds (distance) P-C4' energy: -175.189 flat angles C4'-P-C4' energy: -177.312 flat angles P-C4'-P energy: -114.401 tors. eta vs tors. theta energy: -177.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2041.396647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.396647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.396647 (E_RNA) where: Base-Base interactions energy: -1273.438 where: short stacking energy: -577.867 Base-Backbone interact. energy: -3.335 local terms energy: -764.623102 where: bonds (distance) C4'-P energy: -158.988 bonds (distance) P-C4' energy: -179.049 flat angles C4'-P-C4' energy: -167.158 flat angles P-C4'-P energy: -109.179 tors. eta vs tors. theta energy: -150.250 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: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1863.686973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.686973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.686973 (E_RNA) where: Base-Base interactions energy: -1157.606 where: short stacking energy: -535.808 Base-Backbone interact. energy: 2.169 local terms energy: -708.249803 where: bonds (distance) C4'-P energy: -159.253 bonds (distance) P-C4' energy: -157.522 flat angles C4'-P-C4' energy: -157.047 flat angles P-C4'-P energy: -103.934 tors. eta vs tors. theta energy: -130.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1351.629251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.629251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.629251 (E_RNA) where: Base-Base interactions energy: -731.534 where: short stacking energy: -362.093 Base-Backbone interact. energy: -2.140 local terms energy: -617.955040 where: bonds (distance) C4'-P energy: -149.308 bonds (distance) P-C4' energy: -173.026 flat angles C4'-P-C4' energy: -137.610 flat angles P-C4'-P energy: -97.488 tors. eta vs tors. theta energy: -60.523 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: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1131.805561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.805561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.805561 (E_RNA) where: Base-Base interactions energy: -576.591 where: short stacking energy: -303.868 Base-Backbone interact. energy: -0.486 local terms energy: -554.728726 where: bonds (distance) C4'-P energy: -140.820 bonds (distance) P-C4' energy: -159.420 flat angles C4'-P-C4' energy: -152.176 flat angles P-C4'-P energy: -60.880 tors. eta vs tors. theta energy: -41.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -759.638208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.638208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.638208 (E_RNA) where: Base-Base interactions energy: -269.143 where: short stacking energy: -205.094 Base-Backbone interact. energy: 4.000 local terms energy: -494.494681 where: bonds (distance) C4'-P energy: -149.087 bonds (distance) P-C4' energy: -180.332 flat angles C4'-P-C4' energy: -128.169 flat angles P-C4'-P energy: -65.941 tors. eta vs tors. theta energy: 29.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -742.806915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.806915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.806915 (E_RNA) where: Base-Base interactions energy: -288.434 where: short stacking energy: -177.394 Base-Backbone interact. energy: 3.867 local terms energy: -458.239551 where: bonds (distance) C4'-P energy: -149.546 bonds (distance) P-C4' energy: -147.067 flat angles C4'-P-C4' energy: -130.167 flat angles P-C4'-P energy: -70.814 tors. eta vs tors. theta energy: 39.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2857.832375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.832375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.832375 (E_RNA) where: Base-Base interactions energy: -1912.475 where: short stacking energy: -823.431 Base-Backbone interact. energy: -7.548 local terms energy: -937.809867 where: bonds (distance) C4'-P energy: -179.622 bonds (distance) P-C4' energy: -184.645 flat angles C4'-P-C4' energy: -204.780 flat angles P-C4'-P energy: -128.973 tors. eta vs tors. theta energy: -239.791 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: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2626.936404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.936404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.936404 (E_RNA) where: Base-Base interactions energy: -1762.962 where: short stacking energy: -746.729 Base-Backbone interact. energy: 2.198 local terms energy: -866.172539 where: bonds (distance) C4'-P energy: -170.090 bonds (distance) P-C4' energy: -170.599 flat angles C4'-P-C4' energy: -188.962 flat angles P-C4'-P energy: -131.711 tors. eta vs tors. theta energy: -204.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2442.311505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.311505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.311505 (E_RNA) where: Base-Base interactions energy: -1578.844 where: short stacking energy: -714.179 Base-Backbone interact. energy: 0.338 local terms energy: -863.805149 where: bonds (distance) C4'-P energy: -180.605 bonds (distance) P-C4' energy: -180.122 flat angles C4'-P-C4' energy: -184.631 flat angles P-C4'-P energy: -118.311 tors. eta vs tors. theta energy: -200.137 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: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2238.794425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.794425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.794425 (E_RNA) where: Base-Base interactions energy: -1449.740 where: short stacking energy: -647.067 Base-Backbone interact. energy: -0.993 local terms energy: -788.060902 where: bonds (distance) C4'-P energy: -160.036 bonds (distance) P-C4' energy: -158.819 flat angles C4'-P-C4' energy: -182.722 flat angles P-C4'-P energy: -118.101 tors. eta vs tors. theta energy: -168.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2041.120601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.120601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.120601 (E_RNA) where: Base-Base interactions energy: -1276.233 where: short stacking energy: -607.207 Base-Backbone interact. energy: -0.724 local terms energy: -764.163018 where: bonds (distance) C4'-P energy: -164.834 bonds (distance) P-C4' energy: -156.406 flat angles C4'-P-C4' energy: -182.034 flat angles P-C4'-P energy: -100.852 tors. eta vs tors. theta energy: -160.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1708.752541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.752541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.752541 (E_RNA) where: Base-Base interactions energy: -1033.237 where: short stacking energy: -456.714 Base-Backbone interact. energy: -6.094 local terms energy: -669.421823 where: bonds (distance) C4'-P energy: -149.753 bonds (distance) P-C4' energy: -170.920 flat angles C4'-P-C4' energy: -166.063 flat angles P-C4'-P energy: -91.793 tors. eta vs tors. theta energy: -90.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1315.911913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.911913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.911913 (E_RNA) where: Base-Base interactions energy: -694.141 where: short stacking energy: -343.806 Base-Backbone interact. energy: -4.021 local terms energy: -617.750241 where: bonds (distance) C4'-P energy: -153.977 bonds (distance) P-C4' energy: -155.912 flat angles C4'-P-C4' energy: -160.937 flat angles P-C4'-P energy: -104.275 tors. eta vs tors. theta energy: -42.649 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: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1036.607546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.607546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.607546 (E_RNA) where: Base-Base interactions energy: -522.210 where: short stacking energy: -273.246 Base-Backbone interact. energy: -3.124 local terms energy: -511.273823 where: bonds (distance) C4'-P energy: -151.638 bonds (distance) P-C4' energy: -163.872 flat angles C4'-P-C4' energy: -131.462 flat angles P-C4'-P energy: -69.279 tors. eta vs tors. theta energy: 4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -808.175856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.175856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.175856 (E_RNA) where: Base-Base interactions energy: -310.068 where: short stacking energy: -224.702 Base-Backbone interact. energy: 5.238 local terms energy: -503.346207 where: bonds (distance) C4'-P energy: -146.600 bonds (distance) P-C4' energy: -137.711 flat angles C4'-P-C4' energy: -142.259 flat angles P-C4'-P energy: -96.495 tors. eta vs tors. theta energy: 19.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -741.070047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.070047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.070047 (E_RNA) where: Base-Base interactions energy: -299.275 where: short stacking energy: -186.375 Base-Backbone interact. energy: -1.168 local terms energy: -440.627227 where: bonds (distance) C4'-P energy: -132.396 bonds (distance) P-C4' energy: -150.361 flat angles C4'-P-C4' energy: -126.978 flat angles P-C4'-P energy: -63.667 tors. eta vs tors. theta energy: 32.774 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: 90 Temperature: 0.900000 Total energy: -2877.263815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.263815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.263815 (E_RNA) where: Base-Base interactions energy: -1932.605 where: short stacking energy: -823.626 Base-Backbone interact. energy: -7.099 local terms energy: -937.559996 where: bonds (distance) C4'-P energy: -189.839 bonds (distance) P-C4' energy: -185.075 flat angles C4'-P-C4' energy: -192.007 flat angles P-C4'-P energy: -129.955 tors. eta vs tors. theta energy: -240.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2686.724771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.724771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.724771 (E_RNA) where: Base-Base interactions energy: -1799.552 where: short stacking energy: -737.593 Base-Backbone interact. energy: -4.952 local terms energy: -882.220642 where: bonds (distance) C4'-P energy: -183.833 bonds (distance) P-C4' energy: -165.359 flat angles C4'-P-C4' energy: -186.319 flat angles P-C4'-P energy: -122.406 tors. eta vs tors. theta energy: -224.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2429.916650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.916650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.916650 (E_RNA) where: Base-Base interactions energy: -1588.765 where: short stacking energy: -715.921 Base-Backbone interact. energy: -3.731 local terms energy: -837.420907 where: bonds (distance) C4'-P energy: -176.072 bonds (distance) P-C4' energy: -172.825 flat angles C4'-P-C4' energy: -196.301 flat angles P-C4'-P energy: -106.660 tors. eta vs tors. theta energy: -185.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2246.243065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.243065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.243065 (E_RNA) where: Base-Base interactions energy: -1426.591 where: short stacking energy: -637.490 Base-Backbone interact. energy: 3.121 local terms energy: -822.772288 where: bonds (distance) C4'-P energy: -163.685 bonds (distance) P-C4' energy: -173.537 flat angles C4'-P-C4' energy: -199.915 flat angles P-C4'-P energy: -113.640 tors. eta vs tors. theta energy: -171.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2056.163777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.163777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.163777 (E_RNA) where: Base-Base interactions energy: -1310.058 where: short stacking energy: -589.193 Base-Backbone interact. energy: -4.100 local terms energy: -742.005952 where: bonds (distance) C4'-P energy: -147.494 bonds (distance) P-C4' energy: -161.875 flat angles C4'-P-C4' energy: -172.878 flat angles P-C4'-P energy: -103.278 tors. eta vs tors. theta energy: -156.480 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: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1706.246764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.246764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.246764 (E_RNA) where: Base-Base interactions energy: -1013.856 where: short stacking energy: -463.371 Base-Backbone interact. energy: -0.011 local terms energy: -692.379265 where: bonds (distance) C4'-P energy: -163.973 bonds (distance) P-C4' energy: -167.286 flat angles C4'-P-C4' energy: -167.144 flat angles P-C4'-P energy: -100.821 tors. eta vs tors. theta energy: -93.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1318.375020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.375020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.375020 (E_RNA) where: Base-Base interactions energy: -686.317 where: short stacking energy: -353.549 Base-Backbone interact. energy: -2.838 local terms energy: -629.220667 where: bonds (distance) C4'-P energy: -152.204 bonds (distance) P-C4' energy: -157.944 flat angles C4'-P-C4' energy: -172.877 flat angles P-C4'-P energy: -98.769 tors. eta vs tors. theta energy: -47.426 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: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -962.835922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.835922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.835922 (E_RNA) where: Base-Base interactions energy: -442.279 where: short stacking energy: -260.040 Base-Backbone interact. energy: -1.464 local terms energy: -519.092957 where: bonds (distance) C4'-P energy: -154.117 bonds (distance) P-C4' energy: -151.535 flat angles C4'-P-C4' energy: -133.527 flat angles P-C4'-P energy: -81.669 tors. eta vs tors. theta energy: 1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -757.605923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.605923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.605923 (E_RNA) where: Base-Base interactions energy: -319.548 where: short stacking energy: -184.559 Base-Backbone interact. energy: 1.346 local terms energy: -439.404110 where: bonds (distance) C4'-P energy: -124.726 bonds (distance) P-C4' energy: -160.640 flat angles C4'-P-C4' energy: -106.693 flat angles P-C4'-P energy: -73.876 tors. eta vs tors. theta energy: 26.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -686.758463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.758463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.758463 (E_RNA) where: Base-Base interactions energy: -295.232 where: short stacking energy: -206.328 Base-Backbone interact. energy: 0.599 local terms energy: -392.125236 where: bonds (distance) C4'-P energy: -129.342 bonds (distance) P-C4' energy: -147.882 flat angles C4'-P-C4' energy: -108.500 flat angles P-C4'-P energy: -48.799 tors. eta vs tors. theta energy: 42.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2916.103333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.103333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.103333 (E_RNA) where: Base-Base interactions energy: -1962.894 where: short stacking energy: -865.627 Base-Backbone interact. energy: -1.783 local terms energy: -951.425921 where: bonds (distance) C4'-P energy: -164.461 bonds (distance) P-C4' energy: -189.903 flat angles C4'-P-C4' energy: -206.442 flat angles P-C4'-P energy: -145.190 tors. eta vs tors. theta energy: -245.431 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: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2707.251787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.251787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.251787 (E_RNA) where: Base-Base interactions energy: -1795.719 where: short stacking energy: -730.023 Base-Backbone interact. energy: -3.442 local terms energy: -908.090915 where: bonds (distance) C4'-P energy: -186.751 bonds (distance) P-C4' energy: -191.878 flat angles C4'-P-C4' energy: -198.738 flat angles P-C4'-P energy: -130.768 tors. eta vs tors. theta energy: -199.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2455.306955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.306955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.306955 (E_RNA) where: Base-Base interactions energy: -1583.380 where: short stacking energy: -699.387 Base-Backbone interact. energy: -3.701 local terms energy: -868.226156 where: bonds (distance) C4'-P energy: -163.553 bonds (distance) P-C4' energy: -185.348 flat angles C4'-P-C4' energy: -209.309 flat angles P-C4'-P energy: -104.390 tors. eta vs tors. theta energy: -205.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2281.020606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.020606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.020606 (E_RNA) where: Base-Base interactions energy: -1495.696 where: short stacking energy: -661.310 Base-Backbone interact. energy: -3.862 local terms energy: -781.462946 where: bonds (distance) C4'-P energy: -153.331 bonds (distance) P-C4' energy: -174.191 flat angles C4'-P-C4' energy: -175.940 flat angles P-C4'-P energy: -98.073 tors. eta vs tors. theta energy: -179.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2034.696775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.696775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.696775 (E_RNA) where: Base-Base interactions energy: -1264.377 where: short stacking energy: -558.081 Base-Backbone interact. energy: 0.289 local terms energy: -770.608544 where: bonds (distance) C4'-P energy: -176.283 bonds (distance) P-C4' energy: -175.661 flat angles C4'-P-C4' energy: -158.087 flat angles P-C4'-P energy: -114.455 tors. eta vs tors. theta energy: -146.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1711.579271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.579271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.579271 (E_RNA) where: Base-Base interactions energy: -1005.868 where: short stacking energy: -482.000 Base-Backbone interact. energy: 0.875 local terms energy: -706.586210 where: bonds (distance) C4'-P energy: -159.812 bonds (distance) P-C4' energy: -173.331 flat angles C4'-P-C4' energy: -172.989 flat angles P-C4'-P energy: -97.599 tors. eta vs tors. theta energy: -102.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1366.983920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.983920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.983920 (E_RNA) where: Base-Base interactions energy: -738.737 where: short stacking energy: -370.857 Base-Backbone interact. energy: 1.555 local terms energy: -629.801895 where: bonds (distance) C4'-P energy: -153.720 bonds (distance) P-C4' energy: -167.028 flat angles C4'-P-C4' energy: -148.136 flat angles P-C4'-P energy: -96.782 tors. eta vs tors. theta energy: -64.136 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: 8, replica: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -981.059879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.059879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.059879 (E_RNA) where: Base-Base interactions energy: -453.119 where: short stacking energy: -249.327 Base-Backbone interact. energy: -2.116 local terms energy: -525.824626 where: bonds (distance) C4'-P energy: -168.576 bonds (distance) P-C4' energy: -155.097 flat angles C4'-P-C4' energy: -130.842 flat angles P-C4'-P energy: -66.225 tors. eta vs tors. theta energy: -5.085 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: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -802.004445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.004445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.004445 (E_RNA) where: Base-Base interactions energy: -343.389 where: short stacking energy: -223.968 Base-Backbone interact. energy: -4.280 local terms energy: -454.335115 where: bonds (distance) C4'-P energy: -135.143 bonds (distance) P-C4' energy: -156.667 flat angles C4'-P-C4' energy: -128.283 flat angles P-C4'-P energy: -75.911 tors. eta vs tors. theta energy: 41.669 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: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -628.259379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.259379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.259379 (E_RNA) where: Base-Base interactions energy: -202.533 where: short stacking energy: -159.428 Base-Backbone interact. energy: 2.840 local terms energy: -428.566114 where: bonds (distance) C4'-P energy: -137.713 bonds (distance) P-C4' energy: -155.798 flat angles C4'-P-C4' energy: -110.287 flat angles P-C4'-P energy: -72.701 tors. eta vs tors. theta energy: 47.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2894.337401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.337401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.337401 (E_RNA) where: Base-Base interactions energy: -1974.488 where: short stacking energy: -828.101 Base-Backbone interact. energy: -0.669 local terms energy: -919.179773 where: bonds (distance) C4'-P energy: -173.805 bonds (distance) P-C4' energy: -181.058 flat angles C4'-P-C4' energy: -201.367 flat angles P-C4'-P energy: -124.834 tors. eta vs tors. theta energy: -238.116 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: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2690.068560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.068560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.068560 (E_RNA) where: Base-Base interactions energy: -1791.272 where: short stacking energy: -761.913 Base-Backbone interact. energy: 0.186 local terms energy: -898.982396 where: bonds (distance) C4'-P energy: -173.967 bonds (distance) P-C4' energy: -199.756 flat angles C4'-P-C4' energy: -190.681 flat angles P-C4'-P energy: -135.540 tors. eta vs tors. theta energy: -199.037 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: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2488.080113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.080113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.080113 (E_RNA) where: Base-Base interactions energy: -1595.370 where: short stacking energy: -713.918 Base-Backbone interact. energy: -5.415 local terms energy: -887.295845 where: bonds (distance) C4'-P energy: -167.584 bonds (distance) P-C4' energy: -190.285 flat angles C4'-P-C4' energy: -206.797 flat angles P-C4'-P energy: -109.014 tors. eta vs tors. theta energy: -213.616 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: 92 Temperature: 1.050000 Total energy: -2267.763432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.763432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.763432 (E_RNA) where: Base-Base interactions energy: -1424.762 where: short stacking energy: -621.858 Base-Backbone interact. energy: -0.864 local terms energy: -842.136823 where: bonds (distance) C4'-P energy: -167.669 bonds (distance) P-C4' energy: -182.032 flat angles C4'-P-C4' energy: -185.172 flat angles P-C4'-P energy: -140.312 tors. eta vs tors. theta energy: -166.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2033.429587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.429587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.429587 (E_RNA) where: Base-Base interactions energy: -1278.053 where: short stacking energy: -559.759 Base-Backbone interact. energy: -3.799 local terms energy: -751.577362 where: bonds (distance) C4'-P energy: -162.149 bonds (distance) P-C4' energy: -176.552 flat angles C4'-P-C4' energy: -168.535 flat angles P-C4'-P energy: -107.847 tors. eta vs tors. theta energy: -136.495 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: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1728.152794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.152794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.152794 (E_RNA) where: Base-Base interactions energy: -1002.246 where: short stacking energy: -484.900 Base-Backbone interact. energy: -2.422 local terms energy: -723.484568 where: bonds (distance) C4'-P energy: -150.553 bonds (distance) P-C4' energy: -177.845 flat angles C4'-P-C4' energy: -159.516 flat angles P-C4'-P energy: -115.308 tors. eta vs tors. theta energy: -120.261 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: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1405.434370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.434370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.434370 (E_RNA) where: Base-Base interactions energy: -745.149 where: short stacking energy: -385.913 Base-Backbone interact. energy: -3.406 local terms energy: -656.879808 where: bonds (distance) C4'-P energy: -158.910 bonds (distance) P-C4' energy: -163.807 flat angles C4'-P-C4' energy: -173.293 flat angles P-C4'-P energy: -115.610 tors. eta vs tors. theta energy: -45.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1005.216607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.216607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.216607 (E_RNA) where: Base-Base interactions energy: -472.596 where: short stacking energy: -268.866 Base-Backbone interact. energy: -1.300 local terms energy: -531.320607 where: bonds (distance) C4'-P energy: -133.794 bonds (distance) P-C4' energy: -154.711 flat angles C4'-P-C4' energy: -136.549 flat angles P-C4'-P energy: -83.394 tors. eta vs tors. theta energy: -22.873 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: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -865.171171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.171171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.171171 (E_RNA) where: Base-Base interactions energy: -388.477 where: short stacking energy: -230.410 Base-Backbone interact. energy: 1.034 local terms energy: -477.727693 where: bonds (distance) C4'-P energy: -139.205 bonds (distance) P-C4' energy: -155.547 flat angles C4'-P-C4' energy: -128.132 flat angles P-C4'-P energy: -69.703 tors. eta vs tors. theta energy: 14.859 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: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -632.905154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.905154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.905154 (E_RNA) where: Base-Base interactions energy: -188.341 where: short stacking energy: -156.806 Base-Backbone interact. energy: -0.533 local terms energy: -444.030646 where: bonds (distance) C4'-P energy: -137.092 bonds (distance) P-C4' energy: -149.142 flat angles C4'-P-C4' energy: -128.184 flat angles P-C4'-P energy: -81.313 tors. eta vs tors. theta energy: 51.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2899.332811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.332811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.332811 (E_RNA) where: Base-Base interactions energy: -1976.308 where: short stacking energy: -822.399 Base-Backbone interact. energy: 0.842 local terms energy: -923.866351 where: bonds (distance) C4'-P energy: -174.859 bonds (distance) P-C4' energy: -186.228 flat angles C4'-P-C4' energy: -192.616 flat angles P-C4'-P energy: -129.540 tors. eta vs tors. theta energy: -240.623 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: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2696.593055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.593055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.593055 (E_RNA) where: Base-Base interactions energy: -1796.786 where: short stacking energy: -740.271 Base-Backbone interact. energy: -8.076 local terms energy: -891.731893 where: bonds (distance) C4'-P energy: -172.362 bonds (distance) P-C4' energy: -177.913 flat angles C4'-P-C4' energy: -197.419 flat angles P-C4'-P energy: -128.938 tors. eta vs tors. theta energy: -215.100 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: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2488.929801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.929801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.929801 (E_RNA) where: Base-Base interactions energy: -1638.165 where: short stacking energy: -729.714 Base-Backbone interact. energy: -10.277 local terms energy: -840.487888 where: bonds (distance) C4'-P energy: -155.064 bonds (distance) P-C4' energy: -164.063 flat angles C4'-P-C4' energy: -187.552 flat angles P-C4'-P energy: -125.397 tors. eta vs tors. theta energy: -208.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2256.593966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.593966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.593966 (E_RNA) where: Base-Base interactions energy: -1449.876 where: short stacking energy: -674.145 Base-Backbone interact. energy: 3.980 local terms energy: -810.698597 where: bonds (distance) C4'-P energy: -157.830 bonds (distance) P-C4' energy: -172.697 flat angles C4'-P-C4' energy: -187.136 flat angles P-C4'-P energy: -108.245 tors. eta vs tors. theta energy: -184.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2001.650113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.650113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.650113 (E_RNA) where: Base-Base interactions energy: -1271.625 where: short stacking energy: -568.260 Base-Backbone interact. energy: -2.285 local terms energy: -727.739522 where: bonds (distance) C4'-P energy: -159.684 bonds (distance) P-C4' energy: -164.424 flat angles C4'-P-C4' energy: -177.486 flat angles P-C4'-P energy: -106.696 tors. eta vs tors. theta energy: -119.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1728.640462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.640462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.640462 (E_RNA) where: Base-Base interactions energy: -1034.769 where: short stacking energy: -502.144 Base-Backbone interact. energy: -0.409 local terms energy: -693.462063 where: bonds (distance) C4'-P energy: -166.684 bonds (distance) P-C4' energy: -166.710 flat angles C4'-P-C4' energy: -147.707 flat angles P-C4'-P energy: -106.076 tors. eta vs tors. theta energy: -106.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1344.643351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.643351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.643351 (E_RNA) where: Base-Base interactions energy: -715.315 where: short stacking energy: -348.218 Base-Backbone interact. energy: -0.500 local terms energy: -628.828122 where: bonds (distance) C4'-P energy: -167.474 bonds (distance) P-C4' energy: -178.606 flat angles C4'-P-C4' energy: -153.590 flat angles P-C4'-P energy: -91.138 tors. eta vs tors. theta energy: -38.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1074.240904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.240904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.240904 (E_RNA) where: Base-Base interactions energy: -527.023 where: short stacking energy: -307.290 Base-Backbone interact. energy: 2.104 local terms energy: -549.321789 where: bonds (distance) C4'-P energy: -144.311 bonds (distance) P-C4' energy: -155.475 flat angles C4'-P-C4' energy: -130.994 flat angles P-C4'-P energy: -88.165 tors. eta vs tors. theta energy: -30.377 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: 9, replica: 8 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -936.821345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.821345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.821345 (E_RNA) where: Base-Base interactions energy: -428.608 where: short stacking energy: -220.487 Base-Backbone interact. energy: -2.687 local terms energy: -505.526658 where: bonds (distance) C4'-P energy: -156.502 bonds (distance) P-C4' energy: -160.535 flat angles C4'-P-C4' energy: -123.511 flat angles P-C4'-P energy: -81.657 tors. eta vs tors. theta energy: 16.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -670.136314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.136314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.136314 (E_RNA) where: Base-Base interactions energy: -233.417 where: short stacking energy: -186.782 Base-Backbone interact. energy: -1.995 local terms energy: -434.723728 where: bonds (distance) C4'-P energy: -132.490 bonds (distance) P-C4' energy: -144.875 flat angles C4'-P-C4' energy: -130.903 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: 25.193 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: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2892.322870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.322870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.322870 (E_RNA) where: Base-Base interactions energy: -1952.375 where: short stacking energy: -830.221 Base-Backbone interact. energy: -4.508 local terms energy: -935.440019 where: bonds (distance) C4'-P energy: -167.261 bonds (distance) P-C4' energy: -191.609 flat angles C4'-P-C4' energy: -179.696 flat angles P-C4'-P energy: -155.282 tors. eta vs tors. theta energy: -241.592 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: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2663.857703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.857703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.857703 (E_RNA) where: Base-Base interactions energy: -1756.424 where: short stacking energy: -783.475 Base-Backbone interact. energy: -1.077 local terms energy: -906.356417 where: bonds (distance) C4'-P energy: -173.118 bonds (distance) P-C4' energy: -177.835 flat angles C4'-P-C4' energy: -197.561 flat angles P-C4'-P energy: -124.508 tors. eta vs tors. theta energy: -233.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2561.304709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.304709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.304709 (E_RNA) where: Base-Base interactions energy: -1653.975 where: short stacking energy: -741.719 Base-Backbone interact. energy: -2.432 local terms energy: -904.897709 where: bonds (distance) C4'-P energy: -174.473 bonds (distance) P-C4' energy: -188.401 flat angles C4'-P-C4' energy: -183.008 flat angles P-C4'-P energy: -141.038 tors. eta vs tors. theta energy: -217.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2243.509539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.509539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.509539 (E_RNA) where: Base-Base interactions energy: -1469.442 where: short stacking energy: -663.266 Base-Backbone interact. energy: 8.390 local terms energy: -782.456577 where: bonds (distance) C4'-P energy: -158.712 bonds (distance) P-C4' energy: -162.263 flat angles C4'-P-C4' energy: -168.097 flat angles P-C4'-P energy: -132.371 tors. eta vs tors. theta energy: -161.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2058.287484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.287484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.287484 (E_RNA) where: Base-Base interactions energy: -1311.509 where: short stacking energy: -605.034 Base-Backbone interact. energy: 3.795 local terms energy: -750.573068 where: bonds (distance) C4'-P energy: -146.396 bonds (distance) P-C4' energy: -173.887 flat angles C4'-P-C4' energy: -183.853 flat angles P-C4'-P energy: -98.125 tors. eta vs tors. theta energy: -148.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1689.516333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.516333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.516333 (E_RNA) where: Base-Base interactions energy: -994.847 where: short stacking energy: -481.523 Base-Backbone interact. energy: 0.922 local terms energy: -695.590785 where: bonds (distance) C4'-P energy: -162.190 bonds (distance) P-C4' energy: -175.205 flat angles C4'-P-C4' energy: -164.958 flat angles P-C4'-P energy: -102.714 tors. eta vs tors. theta energy: -90.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1319.144972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.144972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.144972 (E_RNA) where: Base-Base interactions energy: -721.237 where: short stacking energy: -351.712 Base-Backbone interact. energy: -2.037 local terms energy: -595.870827 where: bonds (distance) C4'-P energy: -146.347 bonds (distance) P-C4' energy: -169.706 flat angles C4'-P-C4' energy: -143.489 flat angles P-C4'-P energy: -90.020 tors. eta vs tors. theta energy: -46.309 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: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1123.518768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.518768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.518768 (E_RNA) where: Base-Base interactions energy: -581.834 where: short stacking energy: -285.155 Base-Backbone interact. energy: -0.055 local terms energy: -541.629509 where: bonds (distance) C4'-P energy: -145.384 bonds (distance) P-C4' energy: -137.175 flat angles C4'-P-C4' energy: -152.430 flat angles P-C4'-P energy: -79.365 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: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -906.725086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.725086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.725086 (E_RNA) where: Base-Base interactions energy: -392.060 where: short stacking energy: -225.878 Base-Backbone interact. energy: 1.701 local terms energy: -516.365261 where: bonds (distance) C4'-P energy: -134.634 bonds (distance) P-C4' energy: -145.173 flat angles C4'-P-C4' energy: -150.608 flat angles P-C4'-P energy: -90.861 tors. eta vs tors. theta energy: 4.910 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: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -621.940058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.940058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.940058 (E_RNA) where: Base-Base interactions energy: -184.775 where: short stacking energy: -157.939 Base-Backbone interact. energy: 5.271 local terms energy: -442.436669 where: bonds (distance) C4'-P energy: -135.654 bonds (distance) P-C4' energy: -172.184 flat angles C4'-P-C4' energy: -103.013 flat angles P-C4'-P energy: -67.667 tors. eta vs tors. theta energy: 36.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2883.289184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.289184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.289184 (E_RNA) where: Base-Base interactions energy: -1937.347 where: short stacking energy: -839.731 Base-Backbone interact. energy: -6.112 local terms energy: -939.829659 where: bonds (distance) C4'-P energy: -165.864 bonds (distance) P-C4' energy: -173.997 flat angles C4'-P-C4' energy: -203.234 flat angles P-C4'-P energy: -144.935 tors. eta vs tors. theta energy: -251.799 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: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2714.208563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.208563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.208563 (E_RNA) where: Base-Base interactions energy: -1806.643 where: short stacking energy: -745.609 Base-Backbone interact. energy: 0.422 local terms energy: -907.987986 where: bonds (distance) C4'-P energy: -185.010 bonds (distance) P-C4' energy: -190.542 flat angles C4'-P-C4' energy: -205.697 flat angles P-C4'-P energy: -119.944 tors. eta vs tors. theta energy: -206.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2574.846913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.846913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.846913 (E_RNA) where: Base-Base interactions energy: -1677.185 where: short stacking energy: -757.685 Base-Backbone interact. energy: -4.443 local terms energy: -893.218447 where: bonds (distance) C4'-P energy: -154.509 bonds (distance) P-C4' energy: -201.443 flat angles C4'-P-C4' energy: -198.566 flat angles P-C4'-P energy: -118.316 tors. eta vs tors. theta energy: -220.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2259.378625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.378625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.378625 (E_RNA) where: Base-Base interactions energy: -1460.458 where: short stacking energy: -666.582 Base-Backbone interact. energy: 1.636 local terms energy: -800.556731 where: bonds (distance) C4'-P energy: -168.273 bonds (distance) P-C4' energy: -149.815 flat angles C4'-P-C4' energy: -171.634 flat angles P-C4'-P energy: -128.845 tors. eta vs tors. theta energy: -181.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2092.299533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.299533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.299533 (E_RNA) where: Base-Base interactions energy: -1325.310 where: short stacking energy: -591.916 Base-Backbone interact. energy: -1.038 local terms energy: -765.951354 where: bonds (distance) C4'-P energy: -161.605 bonds (distance) P-C4' energy: -144.781 flat angles C4'-P-C4' energy: -171.128 flat angles P-C4'-P energy: -131.213 tors. eta vs tors. theta energy: -157.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1701.311270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.311270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.311270 (E_RNA) where: Base-Base interactions energy: -1060.985 where: short stacking energy: -501.685 Base-Backbone interact. energy: 3.310 local terms energy: -643.636053 where: bonds (distance) C4'-P energy: -144.126 bonds (distance) P-C4' energy: -154.544 flat angles C4'-P-C4' energy: -166.333 flat angles P-C4'-P energy: -85.290 tors. eta vs tors. theta energy: -93.343 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: 95 Temperature: 1.200000 Total energy: -1314.661634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.661634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.661634 (E_RNA) where: Base-Base interactions energy: -714.617 where: short stacking energy: -339.935 Base-Backbone interact. energy: 4.676 local terms energy: -604.720765 where: bonds (distance) C4'-P energy: -152.964 bonds (distance) P-C4' energy: -155.417 flat angles C4'-P-C4' energy: -161.869 flat angles P-C4'-P energy: -103.455 tors. eta vs tors. theta energy: -31.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1057.494625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.494625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.494625 (E_RNA) where: Base-Base interactions energy: -537.455 where: short stacking energy: -296.547 Base-Backbone interact. energy: 5.030 local terms energy: -525.068983 where: bonds (distance) C4'-P energy: -162.402 bonds (distance) P-C4' energy: -145.866 flat angles C4'-P-C4' energy: -138.515 flat angles P-C4'-P energy: -68.188 tors. eta vs tors. theta energy: -10.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -929.689226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.689226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.689226 (E_RNA) where: Base-Base interactions energy: -465.822 where: short stacking energy: -263.071 Base-Backbone interact. energy: 2.617 local terms energy: -466.484888 where: bonds (distance) C4'-P energy: -137.685 bonds (distance) P-C4' energy: -163.223 flat angles C4'-P-C4' energy: -104.599 flat angles P-C4'-P energy: -68.973 tors. eta vs tors. theta energy: 7.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -648.845040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.845040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.845040 (E_RNA) where: Base-Base interactions energy: -239.566 where: short stacking energy: -158.181 Base-Backbone interact. energy: 4.571 local terms energy: -413.850133 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -162.390 flat angles C4'-P-C4' energy: -116.890 flat angles P-C4'-P energy: -55.380 tors. eta vs tors. theta energy: 49.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2915.694427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.694427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.694427 (E_RNA) where: Base-Base interactions energy: -1965.104 where: short stacking energy: -818.161 Base-Backbone interact. energy: -3.088 local terms energy: -947.502019 where: bonds (distance) C4'-P energy: -183.624 bonds (distance) P-C4' energy: -194.667 flat angles C4'-P-C4' energy: -195.873 flat angles P-C4'-P energy: -134.940 tors. eta vs tors. theta energy: -238.398 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: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2727.778799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.778799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.778799 (E_RNA) where: Base-Base interactions energy: -1818.776 where: short stacking energy: -761.547 Base-Backbone interact. energy: -1.017 local terms energy: -907.986424 where: bonds (distance) C4'-P energy: -171.824 bonds (distance) P-C4' energy: -199.349 flat angles C4'-P-C4' energy: -180.877 flat angles P-C4'-P energy: -133.081 tors. eta vs tors. theta energy: -222.855 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: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2512.195946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.195946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.195946 (E_RNA) where: Base-Base interactions energy: -1644.015 where: short stacking energy: -714.375 Base-Backbone interact. energy: -3.911 local terms energy: -864.270083 where: bonds (distance) C4'-P energy: -158.229 bonds (distance) P-C4' energy: -171.800 flat angles C4'-P-C4' energy: -188.786 flat angles P-C4'-P energy: -125.271 tors. eta vs tors. theta energy: -220.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2236.454320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.454320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.454320 (E_RNA) where: Base-Base interactions energy: -1426.606 where: short stacking energy: -629.717 Base-Backbone interact. energy: 0.689 local terms energy: -810.537568 where: bonds (distance) C4'-P energy: -178.649 bonds (distance) P-C4' energy: -179.418 flat angles C4'-P-C4' energy: -166.860 flat angles P-C4'-P energy: -110.253 tors. eta vs tors. theta energy: -175.357 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: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2118.828995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.828995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.828995 (E_RNA) where: Base-Base interactions energy: -1353.077 where: short stacking energy: -584.979 Base-Backbone interact. energy: -2.319 local terms energy: -763.433241 where: bonds (distance) C4'-P energy: -144.998 bonds (distance) P-C4' energy: -179.408 flat angles C4'-P-C4' energy: -159.114 flat angles P-C4'-P energy: -127.960 tors. eta vs tors. theta energy: -151.953 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: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1726.539940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.539940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.539940 (E_RNA) where: Base-Base interactions energy: -1008.134 where: short stacking energy: -472.543 Base-Backbone interact. energy: 2.580 local terms energy: -720.985874 where: bonds (distance) C4'-P energy: -162.270 bonds (distance) P-C4' energy: -172.543 flat angles C4'-P-C4' energy: -183.536 flat angles P-C4'-P energy: -116.080 tors. eta vs tors. theta energy: -86.557 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: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1322.364867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.364867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.364867 (E_RNA) where: Base-Base interactions energy: -689.259 where: short stacking energy: -356.527 Base-Backbone interact. energy: -3.179 local terms energy: -629.926591 where: bonds (distance) C4'-P energy: -143.856 bonds (distance) P-C4' energy: -159.156 flat angles C4'-P-C4' energy: -173.019 flat angles P-C4'-P energy: -88.023 tors. eta vs tors. theta energy: -65.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1063.477289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.477289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.477289 (E_RNA) where: Base-Base interactions energy: -550.396 where: short stacking energy: -292.739 Base-Backbone interact. energy: 4.219 local terms energy: -517.300557 where: bonds (distance) C4'-P energy: -135.019 bonds (distance) P-C4' energy: -148.616 flat angles C4'-P-C4' energy: -145.636 flat angles P-C4'-P energy: -57.443 tors. eta vs tors. theta energy: -30.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -832.141024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.141024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.141024 (E_RNA) where: Base-Base interactions energy: -362.172 where: short stacking energy: -243.884 Base-Backbone interact. energy: 4.412 local terms energy: -474.380834 where: bonds (distance) C4'-P energy: -139.996 bonds (distance) P-C4' energy: -156.580 flat angles C4'-P-C4' energy: -114.740 flat angles P-C4'-P energy: -80.762 tors. eta vs tors. theta energy: 17.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -653.031014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.031014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.031014 (E_RNA) where: Base-Base interactions energy: -204.584 where: short stacking energy: -171.080 Base-Backbone interact. energy: -3.498 local terms energy: -444.949419 where: bonds (distance) C4'-P energy: -155.894 bonds (distance) P-C4' energy: -130.645 flat angles C4'-P-C4' energy: -113.067 flat angles P-C4'-P energy: -81.521 tors. eta vs tors. theta energy: 36.178 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: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2916.242084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.242084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.242084 (E_RNA) where: Base-Base interactions energy: -1962.644 where: short stacking energy: -835.234 Base-Backbone interact. energy: -0.805 local terms energy: -952.792877 where: bonds (distance) C4'-P energy: -183.429 bonds (distance) P-C4' energy: -182.971 flat angles C4'-P-C4' energy: -214.533 flat angles P-C4'-P energy: -131.850 tors. eta vs tors. theta energy: -240.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2727.011973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.011973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.011973 (E_RNA) where: Base-Base interactions energy: -1807.735 where: short stacking energy: -789.847 Base-Backbone interact. energy: 2.530 local terms energy: -921.806753 where: bonds (distance) C4'-P energy: -171.604 bonds (distance) P-C4' energy: -177.781 flat angles C4'-P-C4' energy: -223.535 flat angles P-C4'-P energy: -109.648 tors. eta vs tors. theta energy: -239.238 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: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2485.184114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.184114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.184114 (E_RNA) where: Base-Base interactions energy: -1647.392 where: short stacking energy: -734.059 Base-Backbone interact. energy: -4.633 local terms energy: -833.159840 where: bonds (distance) C4'-P energy: -143.291 bonds (distance) P-C4' energy: -167.297 flat angles C4'-P-C4' energy: -196.731 flat angles P-C4'-P energy: -121.331 tors. eta vs tors. theta energy: -204.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2228.527082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.527082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.527082 (E_RNA) where: Base-Base interactions energy: -1444.336 where: short stacking energy: -664.247 Base-Backbone interact. energy: -2.034 local terms energy: -782.157535 where: bonds (distance) C4'-P energy: -168.883 bonds (distance) P-C4' energy: -167.817 flat angles C4'-P-C4' energy: -190.291 flat angles P-C4'-P energy: -102.804 tors. eta vs tors. theta energy: -152.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2172.201646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.201646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.201646 (E_RNA) where: Base-Base interactions energy: -1406.158 where: short stacking energy: -597.247 Base-Backbone interact. energy: 2.518 local terms energy: -768.561765 where: bonds (distance) C4'-P energy: -163.027 bonds (distance) P-C4' energy: -160.706 flat angles C4'-P-C4' energy: -192.766 flat angles P-C4'-P energy: -97.949 tors. eta vs tors. theta energy: -154.114 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: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1750.569831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.569831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.569831 (E_RNA) where: Base-Base interactions energy: -1093.624 where: short stacking energy: -507.637 Base-Backbone interact. energy: 3.726 local terms energy: -660.671132 where: bonds (distance) C4'-P energy: -157.325 bonds (distance) P-C4' energy: -166.226 flat angles C4'-P-C4' energy: -150.038 flat angles P-C4'-P energy: -89.441 tors. eta vs tors. theta energy: -97.642 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: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1268.675417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.675417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.675417 (E_RNA) where: Base-Base interactions energy: -683.242 where: short stacking energy: -348.760 Base-Backbone interact. energy: -1.008 local terms energy: -584.425613 where: bonds (distance) C4'-P energy: -160.631 bonds (distance) P-C4' energy: -165.782 flat angles C4'-P-C4' energy: -140.909 flat angles P-C4'-P energy: -88.952 tors. eta vs tors. theta energy: -28.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1047.200336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.200336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.200336 (E_RNA) where: Base-Base interactions energy: -490.878 where: short stacking energy: -264.650 Base-Backbone interact. energy: 13.103 local terms energy: -569.425811 where: bonds (distance) C4'-P energy: -155.910 bonds (distance) P-C4' energy: -161.686 flat angles C4'-P-C4' energy: -153.872 flat angles P-C4'-P energy: -89.134 tors. eta vs tors. theta energy: -8.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -825.971390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.971390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.971390 (E_RNA) where: Base-Base interactions energy: -364.218 where: short stacking energy: -236.905 Base-Backbone interact. energy: 7.882 local terms energy: -469.635835 where: bonds (distance) C4'-P energy: -144.135 bonds (distance) P-C4' energy: -140.586 flat angles C4'-P-C4' energy: -120.357 flat angles P-C4'-P energy: -74.053 tors. eta vs tors. theta energy: 9.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -662.779304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.779304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.779304 (E_RNA) where: Base-Base interactions energy: -238.580 where: short stacking energy: -201.076 Base-Backbone interact. energy: 14.090 local terms energy: -438.289195 where: bonds (distance) C4'-P energy: -147.075 bonds (distance) P-C4' energy: -148.036 flat angles C4'-P-C4' energy: -112.140 flat angles P-C4'-P energy: -61.674 tors. eta vs tors. theta energy: 30.637 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: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2951.872039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.872039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.872039 (E_RNA) where: Base-Base interactions energy: -2020.142 where: short stacking energy: -848.100 Base-Backbone interact. energy: -8.650 local terms energy: -923.079630 where: bonds (distance) C4'-P energy: -173.819 bonds (distance) P-C4' energy: -182.430 flat angles C4'-P-C4' energy: -206.159 flat angles P-C4'-P energy: -122.260 tors. eta vs tors. theta energy: -238.412 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: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2752.781806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.781806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.781806 (E_RNA) where: Base-Base interactions energy: -1837.400 where: short stacking energy: -786.542 Base-Backbone interact. energy: -0.666 local terms energy: -914.715790 where: bonds (distance) C4'-P energy: -162.433 bonds (distance) P-C4' energy: -184.380 flat angles C4'-P-C4' energy: -202.638 flat angles P-C4'-P energy: -143.542 tors. eta vs tors. theta energy: -221.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2479.252017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.252017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.252017 (E_RNA) where: Base-Base interactions energy: -1614.417 where: short stacking energy: -713.505 Base-Backbone interact. energy: -2.135 local terms energy: -862.699934 where: bonds (distance) C4'-P energy: -176.238 bonds (distance) P-C4' energy: -174.707 flat angles C4'-P-C4' energy: -180.329 flat angles P-C4'-P energy: -126.697 tors. eta vs tors. theta energy: -204.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2187.721971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.721971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.721971 (E_RNA) where: Base-Base interactions energy: -1370.337 where: short stacking energy: -631.510 Base-Backbone interact. energy: -3.574 local terms energy: -813.811335 where: bonds (distance) C4'-P energy: -175.717 bonds (distance) P-C4' energy: -165.569 flat angles C4'-P-C4' energy: -175.099 flat angles P-C4'-P energy: -120.687 tors. eta vs tors. theta energy: -176.740 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: 5, replica: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2121.495253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.495253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.495253 (E_RNA) where: Base-Base interactions energy: -1346.453 where: short stacking energy: -557.096 Base-Backbone interact. energy: -1.230 local terms energy: -773.812502 where: bonds (distance) C4'-P energy: -155.467 bonds (distance) P-C4' energy: -156.772 flat angles C4'-P-C4' energy: -182.830 flat angles P-C4'-P energy: -128.216 tors. eta vs tors. theta energy: -150.527 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: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1710.032183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.032183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.032183 (E_RNA) where: Base-Base interactions energy: -1072.860 where: short stacking energy: -479.884 Base-Backbone interact. energy: 1.327 local terms energy: -638.499732 where: bonds (distance) C4'-P energy: -143.862 bonds (distance) P-C4' energy: -150.608 flat angles C4'-P-C4' energy: -162.303 flat angles P-C4'-P energy: -89.167 tors. eta vs tors. theta energy: -92.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1362.950913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.950913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.950913 (E_RNA) where: Base-Base interactions energy: -759.873 where: short stacking energy: -382.031 Base-Backbone interact. energy: -0.089 local terms energy: -602.988447 where: bonds (distance) C4'-P energy: -165.470 bonds (distance) P-C4' energy: -173.766 flat angles C4'-P-C4' energy: -144.029 flat angles P-C4'-P energy: -65.994 tors. eta vs tors. theta energy: -53.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1115.998365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.998365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.998365 (E_RNA) where: Base-Base interactions energy: -591.566 where: short stacking energy: -306.011 Base-Backbone interact. energy: 15.760 local terms energy: -540.191670 where: bonds (distance) C4'-P energy: -154.445 bonds (distance) P-C4' energy: -159.741 flat angles C4'-P-C4' energy: -131.695 flat angles P-C4'-P energy: -87.179 tors. eta vs tors. theta energy: -7.133 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: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -693.491331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.491331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.491331 (E_RNA) where: Base-Base interactions energy: -224.191 where: short stacking energy: -182.616 Base-Backbone interact. energy: -3.014 local terms energy: -466.285843 where: bonds (distance) C4'-P energy: -154.612 bonds (distance) P-C4' energy: -157.140 flat angles C4'-P-C4' energy: -123.601 flat angles P-C4'-P energy: -80.544 tors. eta vs tors. theta energy: 49.611 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: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -760.026548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.026548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.026548 (E_RNA) where: Base-Base interactions energy: -300.416 where: short stacking energy: -218.646 Base-Backbone interact. energy: -0.968 local terms energy: -458.642366 where: bonds (distance) C4'-P energy: -125.335 bonds (distance) P-C4' energy: -147.082 flat angles C4'-P-C4' energy: -126.830 flat angles P-C4'-P energy: -75.198 tors. eta vs tors. theta energy: 15.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2931.319567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.319567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.319567 (E_RNA) where: Base-Base interactions energy: -2005.783 where: short stacking energy: -827.412 Base-Backbone interact. energy: -4.891 local terms energy: -920.646233 where: bonds (distance) C4'-P energy: -185.789 bonds (distance) P-C4' energy: -172.597 flat angles C4'-P-C4' energy: -188.135 flat angles P-C4'-P energy: -131.154 tors. eta vs tors. theta energy: -242.971 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: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2745.770271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.770271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.770271 (E_RNA) where: Base-Base interactions energy: -1847.318 where: short stacking energy: -783.926 Base-Backbone interact. energy: -1.597 local terms energy: -896.854554 where: bonds (distance) C4'-P energy: -159.887 bonds (distance) P-C4' energy: -184.449 flat angles C4'-P-C4' energy: -195.299 flat angles P-C4'-P energy: -128.636 tors. eta vs tors. theta energy: -228.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2481.072138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.072138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.072138 (E_RNA) where: Base-Base interactions energy: -1636.240 where: short stacking energy: -717.226 Base-Backbone interact. energy: -1.495 local terms energy: -843.336986 where: bonds (distance) C4'-P energy: -148.382 bonds (distance) P-C4' energy: -183.922 flat angles C4'-P-C4' energy: -185.172 flat angles P-C4'-P energy: -124.694 tors. eta vs tors. theta energy: -201.167 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: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2213.463411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.463411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.463411 (E_RNA) where: Base-Base interactions energy: -1408.206 where: short stacking energy: -658.824 Base-Backbone interact. energy: -0.879 local terms energy: -804.378511 where: bonds (distance) C4'-P energy: -159.101 bonds (distance) P-C4' energy: -175.159 flat angles C4'-P-C4' energy: -170.539 flat angles P-C4'-P energy: -117.725 tors. eta vs tors. theta energy: -181.855 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: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2124.144910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.144910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.144910 (E_RNA) where: Base-Base interactions energy: -1385.466 where: short stacking energy: -593.829 Base-Backbone interact. energy: -4.270 local terms energy: -734.409059 where: bonds (distance) C4'-P energy: -170.820 bonds (distance) P-C4' energy: -163.696 flat angles C4'-P-C4' energy: -156.885 flat angles P-C4'-P energy: -87.914 tors. eta vs tors. theta energy: -155.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1739.698829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.698829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.698829 (E_RNA) where: Base-Base interactions energy: -1047.928 where: short stacking energy: -511.738 Base-Backbone interact. energy: -1.534 local terms energy: -690.236824 where: bonds (distance) C4'-P energy: -149.324 bonds (distance) P-C4' energy: -164.426 flat angles C4'-P-C4' energy: -161.822 flat angles P-C4'-P energy: -114.862 tors. eta vs tors. theta energy: -99.803 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: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1370.581861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.581861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.581861 (E_RNA) where: Base-Base interactions energy: -786.096 where: short stacking energy: -377.732 Base-Backbone interact. energy: 2.386 local terms energy: -586.872288 where: bonds (distance) C4'-P energy: -155.749 bonds (distance) P-C4' energy: -151.686 flat angles C4'-P-C4' energy: -143.651 flat angles P-C4'-P energy: -73.094 tors. eta vs tors. theta energy: -62.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1124.506779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.506779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.506779 (E_RNA) where: Base-Base interactions energy: -550.273 where: short stacking energy: -310.306 Base-Backbone interact. energy: -0.333 local terms energy: -573.900235 where: bonds (distance) C4'-P energy: -161.875 bonds (distance) P-C4' energy: -148.281 flat angles C4'-P-C4' energy: -147.817 flat angles P-C4'-P energy: -79.374 tors. eta vs tors. theta energy: -36.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -760.263193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.263193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.263193 (E_RNA) where: Base-Base interactions energy: -259.162 where: short stacking energy: -199.227 Base-Backbone interact. energy: 3.262 local terms energy: -504.363486 where: bonds (distance) C4'-P energy: -133.822 bonds (distance) P-C4' energy: -161.965 flat angles C4'-P-C4' energy: -142.068 flat angles P-C4'-P energy: -83.954 tors. eta vs tors. theta energy: 17.445 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: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -758.650680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.650680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.650680 (E_RNA) where: Base-Base interactions energy: -308.528 where: short stacking energy: -188.880 Base-Backbone interact. energy: -0.103 local terms energy: -450.018900 where: bonds (distance) C4'-P energy: -135.172 bonds (distance) P-C4' energy: -155.005 flat angles C4'-P-C4' energy: -114.237 flat angles P-C4'-P energy: -81.005 tors. eta vs tors. theta energy: 35.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2904.011888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.011888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.011888 (E_RNA) where: Base-Base interactions energy: -1954.227 where: short stacking energy: -789.805 Base-Backbone interact. energy: -8.542 local terms energy: -941.242585 where: bonds (distance) C4'-P energy: -174.971 bonds (distance) P-C4' energy: -177.094 flat angles C4'-P-C4' energy: -195.636 flat angles P-C4'-P energy: -157.761 tors. eta vs tors. theta energy: -235.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2767.432698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.432698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.432698 (E_RNA) where: Base-Base interactions energy: -1845.513 where: short stacking energy: -763.509 Base-Backbone interact. energy: 7.415 local terms energy: -929.334721 where: bonds (distance) C4'-P energy: -177.246 bonds (distance) P-C4' energy: -188.009 flat angles C4'-P-C4' energy: -195.069 flat angles P-C4'-P energy: -132.818 tors. eta vs tors. theta energy: -236.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2488.091918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.091918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.091918 (E_RNA) where: Base-Base interactions energy: -1621.815 where: short stacking energy: -717.079 Base-Backbone interact. energy: -2.802 local terms energy: -863.474598 where: bonds (distance) C4'-P energy: -179.867 bonds (distance) P-C4' energy: -163.446 flat angles C4'-P-C4' energy: -202.623 flat angles P-C4'-P energy: -123.138 tors. eta vs tors. theta energy: -194.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2224.161379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.161379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.161379 (E_RNA) where: Base-Base interactions energy: -1429.114 where: short stacking energy: -628.771 Base-Backbone interact. energy: 2.153 local terms energy: -797.200715 where: bonds (distance) C4'-P energy: -179.683 bonds (distance) P-C4' energy: -153.817 flat angles C4'-P-C4' energy: -186.933 flat angles P-C4'-P energy: -117.360 tors. eta vs tors. theta energy: -159.408 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: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2227.379366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.379366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.379366 (E_RNA) where: Base-Base interactions energy: -1437.065 where: short stacking energy: -657.544 Base-Backbone interact. energy: -0.309 local terms energy: -790.004936 where: bonds (distance) C4'-P energy: -154.830 bonds (distance) P-C4' energy: -154.770 flat angles C4'-P-C4' energy: -189.960 flat angles P-C4'-P energy: -108.505 tors. eta vs tors. theta energy: -181.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1722.374734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.374734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.374734 (E_RNA) where: Base-Base interactions energy: -1050.672 where: short stacking energy: -464.190 Base-Backbone interact. energy: -4.979 local terms energy: -666.723946 where: bonds (distance) C4'-P energy: -147.577 bonds (distance) P-C4' energy: -155.578 flat angles C4'-P-C4' energy: -159.947 flat angles P-C4'-P energy: -109.411 tors. eta vs tors. theta energy: -94.211 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: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1295.243810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.243810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.243810 (E_RNA) where: Base-Base interactions energy: -705.458 where: short stacking energy: -348.565 Base-Backbone interact. energy: -5.274 local terms energy: -584.512129 where: bonds (distance) C4'-P energy: -143.209 bonds (distance) P-C4' energy: -155.212 flat angles C4'-P-C4' energy: -135.665 flat angles P-C4'-P energy: -106.796 tors. eta vs tors. theta energy: -43.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1142.847280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.847280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.847280 (E_RNA) where: Base-Base interactions energy: -601.377 where: short stacking energy: -313.831 Base-Backbone interact. energy: -2.629 local terms energy: -538.841551 where: bonds (distance) C4'-P energy: -114.246 bonds (distance) P-C4' energy: -163.728 flat angles C4'-P-C4' energy: -147.911 flat angles P-C4'-P energy: -89.115 tors. eta vs tors. theta energy: -23.842 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: 8 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -840.672017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.672017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.672017 (E_RNA) where: Base-Base interactions energy: -364.289 where: short stacking energy: -233.505 Base-Backbone interact. energy: 1.932 local terms energy: -478.314721 where: bonds (distance) C4'-P energy: -143.977 bonds (distance) P-C4' energy: -141.020 flat angles C4'-P-C4' energy: -115.160 flat angles P-C4'-P energy: -81.803 tors. eta vs tors. theta energy: 3.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -684.213633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.213633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.213633 (E_RNA) where: Base-Base interactions energy: -229.847 where: short stacking energy: -155.530 Base-Backbone interact. energy: 4.051 local terms energy: -458.417300 where: bonds (distance) C4'-P energy: -152.241 bonds (distance) P-C4' energy: -169.229 flat angles C4'-P-C4' energy: -108.118 flat angles P-C4'-P energy: -70.463 tors. eta vs tors. theta energy: 41.634 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: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2913.856094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.856094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.856094 (E_RNA) where: Base-Base interactions energy: -1941.772 where: short stacking energy: -801.175 Base-Backbone interact. energy: -4.528 local terms energy: -967.556893 where: bonds (distance) C4'-P energy: -180.611 bonds (distance) P-C4' energy: -186.621 flat angles C4'-P-C4' energy: -208.851 flat angles P-C4'-P energy: -146.949 tors. eta vs tors. theta energy: -244.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2751.842408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.842408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.842408 (E_RNA) where: Base-Base interactions energy: -1829.399 where: short stacking energy: -795.899 Base-Backbone interact. energy: -5.801 local terms energy: -916.642163 where: bonds (distance) C4'-P energy: -167.617 bonds (distance) P-C4' energy: -173.771 flat angles C4'-P-C4' energy: -198.592 flat angles P-C4'-P energy: -134.545 tors. eta vs tors. theta energy: -242.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2463.416934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.416934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.416934 (E_RNA) where: Base-Base interactions energy: -1605.636 where: short stacking energy: -730.085 Base-Backbone interact. energy: -5.006 local terms energy: -852.774812 where: bonds (distance) C4'-P energy: -153.401 bonds (distance) P-C4' energy: -166.113 flat angles C4'-P-C4' energy: -207.548 flat angles P-C4'-P energy: -127.396 tors. eta vs tors. theta energy: -198.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2263.819836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.819836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.819836 (E_RNA) where: Base-Base interactions energy: -1468.955 where: short stacking energy: -681.790 Base-Backbone interact. energy: -4.180 local terms energy: -790.685383 where: bonds (distance) C4'-P energy: -143.736 bonds (distance) P-C4' energy: -169.304 flat angles C4'-P-C4' energy: -187.119 flat angles P-C4'-P energy: -109.662 tors. eta vs tors. theta energy: -180.864 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: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2196.465262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.465262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.465262 (E_RNA) where: Base-Base interactions energy: -1392.385 where: short stacking energy: -613.239 Base-Backbone interact. energy: -4.027 local terms energy: -800.053528 where: bonds (distance) C4'-P energy: -151.159 bonds (distance) P-C4' energy: -179.958 flat angles C4'-P-C4' energy: -188.338 flat angles P-C4'-P energy: -103.924 tors. eta vs tors. theta energy: -176.674 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: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1704.182493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.182493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.182493 (E_RNA) where: Base-Base interactions energy: -1067.053 where: short stacking energy: -480.326 Base-Backbone interact. energy: 15.240 local terms energy: -652.369544 where: bonds (distance) C4'-P energy: -139.664 bonds (distance) P-C4' energy: -163.572 flat angles C4'-P-C4' energy: -152.938 flat angles P-C4'-P energy: -103.973 tors. eta vs tors. theta energy: -92.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1243.839743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.839743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.839743 (E_RNA) where: Base-Base interactions energy: -655.137 where: short stacking energy: -330.664 Base-Backbone interact. energy: 0.557 local terms energy: -589.259115 where: bonds (distance) C4'-P energy: -151.835 bonds (distance) P-C4' energy: -165.555 flat angles C4'-P-C4' energy: -158.633 flat angles P-C4'-P energy: -83.350 tors. eta vs tors. theta energy: -29.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1113.815720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.815720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.815720 (E_RNA) where: Base-Base interactions energy: -594.686 where: short stacking energy: -320.214 Base-Backbone interact. energy: 3.099 local terms energy: -522.227825 where: bonds (distance) C4'-P energy: -128.787 bonds (distance) P-C4' energy: -169.983 flat angles C4'-P-C4' energy: -133.292 flat angles P-C4'-P energy: -62.085 tors. eta vs tors. theta energy: -28.081 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: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -823.293298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.293298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.293298 (E_RNA) where: Base-Base interactions energy: -352.163 where: short stacking energy: -216.964 Base-Backbone interact. energy: -3.339 local terms energy: -467.791492 where: bonds (distance) C4'-P energy: -145.450 bonds (distance) P-C4' energy: -150.550 flat angles C4'-P-C4' energy: -111.939 flat angles P-C4'-P energy: -69.292 tors. eta vs tors. theta energy: 9.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -659.183438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.183438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.183438 (E_RNA) where: Base-Base interactions energy: -202.483 where: short stacking energy: -167.602 Base-Backbone interact. energy: 8.525 local terms energy: -465.225507 where: bonds (distance) C4'-P energy: -143.099 bonds (distance) P-C4' energy: -142.945 flat angles C4'-P-C4' energy: -126.975 flat angles P-C4'-P energy: -82.113 tors. eta vs tors. theta energy: 29.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2944.316447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.316447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.316447 (E_RNA) where: Base-Base interactions energy: -1999.412 where: short stacking energy: -840.421 Base-Backbone interact. energy: 0.352 local terms energy: -945.256915 where: bonds (distance) C4'-P energy: -186.552 bonds (distance) P-C4' energy: -183.720 flat angles C4'-P-C4' energy: -215.102 flat angles P-C4'-P energy: -127.699 tors. eta vs tors. theta energy: -232.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2738.461202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.461202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.461202 (E_RNA) where: Base-Base interactions energy: -1815.730 where: short stacking energy: -768.061 Base-Backbone interact. energy: -7.581 local terms energy: -915.150299 where: bonds (distance) C4'-P energy: -176.080 bonds (distance) P-C4' energy: -190.151 flat angles C4'-P-C4' energy: -200.751 flat angles P-C4'-P energy: -113.762 tors. eta vs tors. theta energy: -234.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2479.794199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.794199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.794199 (E_RNA) where: Base-Base interactions energy: -1603.749 where: short stacking energy: -738.664 Base-Backbone interact. energy: -1.368 local terms energy: -874.677114 where: bonds (distance) C4'-P energy: -162.028 bonds (distance) P-C4' energy: -174.184 flat angles C4'-P-C4' energy: -197.120 flat angles P-C4'-P energy: -133.023 tors. eta vs tors. theta energy: -208.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2251.115122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.115122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.115122 (E_RNA) where: Base-Base interactions energy: -1454.270 where: short stacking energy: -658.593 Base-Backbone interact. energy: 3.674 local terms energy: -800.519488 where: bonds (distance) C4'-P energy: -159.470 bonds (distance) P-C4' energy: -166.761 flat angles C4'-P-C4' energy: -169.656 flat angles P-C4'-P energy: -121.737 tors. eta vs tors. theta energy: -182.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2120.870836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.870836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.870836 (E_RNA) where: Base-Base interactions energy: -1374.207 where: short stacking energy: -582.280 Base-Backbone interact. energy: -0.639 local terms energy: -746.024743 where: bonds (distance) C4'-P energy: -154.221 bonds (distance) P-C4' energy: -179.972 flat angles C4'-P-C4' energy: -173.313 flat angles P-C4'-P energy: -96.513 tors. eta vs tors. theta energy: -142.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1693.265072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.265072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.265072 (E_RNA) where: Base-Base interactions energy: -1024.154 where: short stacking energy: -472.411 Base-Backbone interact. energy: -0.606 local terms energy: -668.505067 where: bonds (distance) C4'-P energy: -156.859 bonds (distance) P-C4' energy: -152.447 flat angles C4'-P-C4' energy: -155.323 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -102.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1363.038193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.038193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.038193 (E_RNA) where: Base-Base interactions energy: -755.615 where: short stacking energy: -396.475 Base-Backbone interact. energy: 3.560 local terms energy: -610.983788 where: bonds (distance) C4'-P energy: -162.247 bonds (distance) P-C4' energy: -165.961 flat angles C4'-P-C4' energy: -126.726 flat angles P-C4'-P energy: -95.952 tors. eta vs tors. theta energy: -60.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1042.412780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.412780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.412780 (E_RNA) where: Base-Base interactions energy: -523.840 where: short stacking energy: -313.554 Base-Backbone interact. energy: -4.153 local terms energy: -514.419422 where: bonds (distance) C4'-P energy: -127.844 bonds (distance) P-C4' energy: -159.236 flat angles C4'-P-C4' energy: -137.824 flat angles P-C4'-P energy: -81.442 tors. eta vs tors. theta energy: -8.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -775.859816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.859816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.859816 (E_RNA) where: Base-Base interactions energy: -282.085 where: short stacking energy: -185.059 Base-Backbone interact. energy: -4.091 local terms energy: -489.683507 where: bonds (distance) C4'-P energy: -138.471 bonds (distance) P-C4' energy: -152.399 flat angles C4'-P-C4' energy: -137.064 flat angles P-C4'-P energy: -94.435 tors. eta vs tors. theta energy: 32.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -680.507811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.507811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.507811 (E_RNA) where: Base-Base interactions energy: -200.448 where: short stacking energy: -168.767 Base-Backbone interact. energy: -1.862 local terms energy: -478.198144 where: bonds (distance) C4'-P energy: -140.615 bonds (distance) P-C4' energy: -141.817 flat angles C4'-P-C4' energy: -132.598 flat angles P-C4'-P energy: -89.178 tors. eta vs tors. theta energy: 26.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2923.523255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.523255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.523255 (E_RNA) where: Base-Base interactions energy: -2002.364 where: short stacking energy: -849.931 Base-Backbone interact. energy: -1.018 local terms energy: -920.141895 where: bonds (distance) C4'-P energy: -168.141 bonds (distance) P-C4' energy: -183.936 flat angles C4'-P-C4' energy: -208.821 flat angles P-C4'-P energy: -125.459 tors. eta vs tors. theta energy: -233.785 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: 6 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2733.136527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.136527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.136527 (E_RNA) where: Base-Base interactions energy: -1837.559 where: short stacking energy: -782.520 Base-Backbone interact. energy: -3.803 local terms energy: -891.775188 where: bonds (distance) C4'-P energy: -171.343 bonds (distance) P-C4' energy: -177.706 flat angles C4'-P-C4' energy: -188.907 flat angles P-C4'-P energy: -128.474 tors. eta vs tors. theta energy: -225.345 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: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2494.923936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.923936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.923936 (E_RNA) where: Base-Base interactions energy: -1630.259 where: short stacking energy: -730.284 Base-Backbone interact. energy: 0.618 local terms energy: -865.282336 where: bonds (distance) C4'-P energy: -160.178 bonds (distance) P-C4' energy: -178.985 flat angles C4'-P-C4' energy: -202.652 flat angles P-C4'-P energy: -108.679 tors. eta vs tors. theta energy: -214.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2268.344283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.344283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.344283 (E_RNA) where: Base-Base interactions energy: -1438.672 where: short stacking energy: -667.164 Base-Backbone interact. energy: 2.010 local terms energy: -831.682468 where: bonds (distance) C4'-P energy: -165.048 bonds (distance) P-C4' energy: -190.498 flat angles C4'-P-C4' energy: -170.901 flat angles P-C4'-P energy: -129.763 tors. eta vs tors. theta energy: -175.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2092.216152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.216152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.216152 (E_RNA) where: Base-Base interactions energy: -1334.683 where: short stacking energy: -592.450 Base-Backbone interact. energy: -2.896 local terms energy: -754.636982 where: bonds (distance) C4'-P energy: -152.345 bonds (distance) P-C4' energy: -169.323 flat angles C4'-P-C4' energy: -174.741 flat angles P-C4'-P energy: -112.782 tors. eta vs tors. theta energy: -145.446 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: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1758.975302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.975302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.975302 (E_RNA) where: Base-Base interactions energy: -1098.037 where: short stacking energy: -521.345 Base-Backbone interact. energy: -1.502 local terms energy: -659.436302 where: bonds (distance) C4'-P energy: -136.600 bonds (distance) P-C4' energy: -158.222 flat angles C4'-P-C4' energy: -144.360 flat angles P-C4'-P energy: -104.797 tors. eta vs tors. theta energy: -115.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1425.677687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.677687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.677687 (E_RNA) where: Base-Base interactions energy: -766.124 where: short stacking energy: -358.971 Base-Backbone interact. energy: -1.833 local terms energy: -657.720843 where: bonds (distance) C4'-P energy: -169.607 bonds (distance) P-C4' energy: -169.561 flat angles C4'-P-C4' energy: -150.233 flat angles P-C4'-P energy: -97.302 tors. eta vs tors. theta energy: -71.018 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: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1063.007843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.007843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.007843 (E_RNA) where: Base-Base interactions energy: -548.596 where: short stacking energy: -266.566 Base-Backbone interact. energy: 2.879 local terms energy: -517.290661 where: bonds (distance) C4'-P energy: -128.387 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -135.091 flat angles P-C4'-P energy: -89.209 tors. eta vs tors. theta energy: -12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -788.217334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.217334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.217334 (E_RNA) where: Base-Base interactions energy: -282.102 where: short stacking energy: -178.228 Base-Backbone interact. energy: -0.409 local terms energy: -505.706708 where: bonds (distance) C4'-P energy: -140.624 bonds (distance) P-C4' energy: -150.181 flat angles C4'-P-C4' energy: -149.639 flat angles P-C4'-P energy: -81.835 tors. eta vs tors. theta energy: 16.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -666.713091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.713091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.713091 (E_RNA) where: Base-Base interactions energy: -205.006 where: short stacking energy: -141.506 Base-Backbone interact. energy: -3.773 local terms energy: -457.934128 where: bonds (distance) C4'-P energy: -134.378 bonds (distance) P-C4' energy: -159.850 flat angles C4'-P-C4' energy: -123.723 flat angles P-C4'-P energy: -82.898 tors. eta vs tors. theta energy: 42.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2976.018431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.018431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.018431 (E_RNA) where: Base-Base interactions energy: -2029.663 where: short stacking energy: -835.537 Base-Backbone interact. energy: 0.390 local terms energy: -946.745594 where: bonds (distance) C4'-P energy: -181.507 bonds (distance) P-C4' energy: -186.748 flat angles C4'-P-C4' energy: -203.881 flat angles P-C4'-P energy: -137.959 tors. eta vs tors. theta energy: -236.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2696.825989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.825989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.825989 (E_RNA) where: Base-Base interactions energy: -1782.946 where: short stacking energy: -764.836 Base-Backbone interact. energy: -0.964 local terms energy: -912.916291 where: bonds (distance) C4'-P energy: -168.621 bonds (distance) P-C4' energy: -188.014 flat angles C4'-P-C4' energy: -209.556 flat angles P-C4'-P energy: -120.622 tors. eta vs tors. theta energy: -226.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2532.487479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.487479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.487479 (E_RNA) where: Base-Base interactions energy: -1654.524 where: short stacking energy: -763.746 Base-Backbone interact. energy: -1.856 local terms energy: -876.107214 where: bonds (distance) C4'-P energy: -175.815 bonds (distance) P-C4' energy: -176.000 flat angles C4'-P-C4' energy: -194.744 flat angles P-C4'-P energy: -113.039 tors. eta vs tors. theta energy: -216.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2186.277125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.277125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.277125 (E_RNA) where: Base-Base interactions energy: -1430.664 where: short stacking energy: -645.088 Base-Backbone interact. energy: -1.338 local terms energy: -754.275178 where: bonds (distance) C4'-P energy: -157.810 bonds (distance) P-C4' energy: -173.556 flat angles C4'-P-C4' energy: -176.830 flat angles P-C4'-P energy: -91.860 tors. eta vs tors. theta energy: -154.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2049.745291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.745291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.745291 (E_RNA) where: Base-Base interactions energy: -1294.541 where: short stacking energy: -573.987 Base-Backbone interact. energy: -3.134 local terms energy: -752.070658 where: bonds (distance) C4'-P energy: -157.697 bonds (distance) P-C4' energy: -168.542 flat angles C4'-P-C4' energy: -176.650 flat angles P-C4'-P energy: -120.483 tors. eta vs tors. theta energy: -128.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1732.239150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.239150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.239150 (E_RNA) where: Base-Base interactions energy: -1054.198 where: short stacking energy: -436.085 Base-Backbone interact. energy: -0.134 local terms energy: -677.907643 where: bonds (distance) C4'-P energy: -145.788 bonds (distance) P-C4' energy: -174.761 flat angles C4'-P-C4' energy: -171.160 flat angles P-C4'-P energy: -96.821 tors. eta vs tors. theta energy: -89.377 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: 104 Temperature: 1.200000 Total energy: -1435.472769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.472769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.472769 (E_RNA) where: Base-Base interactions energy: -851.228 where: short stacking energy: -382.708 Base-Backbone interact. energy: -2.925 local terms energy: -581.319712 where: bonds (distance) C4'-P energy: -161.924 bonds (distance) P-C4' energy: -133.138 flat angles C4'-P-C4' energy: -150.177 flat angles P-C4'-P energy: -86.008 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: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1041.128597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.128597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.128597 (E_RNA) where: Base-Base interactions energy: -516.155 where: short stacking energy: -277.875 Base-Backbone interact. energy: -1.088 local terms energy: -523.885743 where: bonds (distance) C4'-P energy: -134.871 bonds (distance) P-C4' energy: -153.664 flat angles C4'-P-C4' energy: -137.275 flat angles P-C4'-P energy: -82.410 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: 9, replica: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -789.588424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.588424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.588424 (E_RNA) where: Base-Base interactions energy: -289.206 where: short stacking energy: -201.878 Base-Backbone interact. energy: 5.845 local terms energy: -506.226539 where: bonds (distance) C4'-P energy: -151.426 bonds (distance) P-C4' energy: -161.943 flat angles C4'-P-C4' energy: -131.887 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: 18.485 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: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -637.767447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.767447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.767447 (E_RNA) where: Base-Base interactions energy: -179.105 where: short stacking energy: -147.050 Base-Backbone interact. energy: -1.577 local terms energy: -457.085154 where: bonds (distance) C4'-P energy: -173.090 bonds (distance) P-C4' energy: -154.163 flat angles C4'-P-C4' energy: -106.398 flat angles P-C4'-P energy: -70.761 tors. eta vs tors. theta energy: 47.328 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: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2946.600163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.600163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.600163 (E_RNA) where: Base-Base interactions energy: -2006.788 where: short stacking energy: -829.493 Base-Backbone interact. energy: -2.594 local terms energy: -937.218556 where: bonds (distance) C4'-P energy: -168.319 bonds (distance) P-C4' energy: -181.255 flat angles C4'-P-C4' energy: -201.407 flat angles P-C4'-P energy: -138.055 tors. eta vs tors. theta energy: -248.182 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: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2750.703364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.703364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.703364 (E_RNA) where: Base-Base interactions energy: -1803.664 where: short stacking energy: -789.097 Base-Backbone interact. energy: -5.294 local terms energy: -941.745096 where: bonds (distance) C4'-P energy: -178.190 bonds (distance) P-C4' energy: -180.175 flat angles C4'-P-C4' energy: -207.494 flat angles P-C4'-P energy: -143.777 tors. eta vs tors. theta energy: -232.109 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: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2506.675393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.675393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.675393 (E_RNA) where: Base-Base interactions energy: -1626.717 where: short stacking energy: -747.423 Base-Backbone interact. energy: -6.105 local terms energy: -873.852707 where: bonds (distance) C4'-P energy: -180.919 bonds (distance) P-C4' energy: -167.880 flat angles C4'-P-C4' energy: -190.979 flat angles P-C4'-P energy: -122.555 tors. eta vs tors. theta energy: -211.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2287.081125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.081125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.081125 (E_RNA) where: Base-Base interactions energy: -1423.068 where: short stacking energy: -671.586 Base-Backbone interact. energy: -0.952 local terms energy: -863.060732 where: bonds (distance) C4'-P energy: -169.974 bonds (distance) P-C4' energy: -190.313 flat angles C4'-P-C4' energy: -188.626 flat angles P-C4'-P energy: -129.616 tors. eta vs tors. theta energy: -184.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2054.368063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.368063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.368063 (E_RNA) where: Base-Base interactions energy: -1306.310 where: short stacking energy: -585.478 Base-Backbone interact. energy: 4.649 local terms energy: -752.706896 where: bonds (distance) C4'-P energy: -155.507 bonds (distance) P-C4' energy: -160.599 flat angles C4'-P-C4' energy: -185.906 flat angles P-C4'-P energy: -111.197 tors. eta vs tors. theta energy: -139.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1699.950132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.950132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.950132 (E_RNA) where: Base-Base interactions energy: -1063.839 where: short stacking energy: -501.070 Base-Backbone interact. energy: -1.090 local terms energy: -635.021853 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -188.224 flat angles C4'-P-C4' energy: -150.852 flat angles P-C4'-P energy: -75.758 tors. eta vs tors. theta energy: -76.041 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: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1378.911905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.911905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.911905 (E_RNA) where: Base-Base interactions energy: -731.790 where: short stacking energy: -367.390 Base-Backbone interact. energy: 2.874 local terms energy: -649.996101 where: bonds (distance) C4'-P energy: -160.052 bonds (distance) P-C4' energy: -172.777 flat angles C4'-P-C4' energy: -166.888 flat angles P-C4'-P energy: -92.919 tors. eta vs tors. theta energy: -57.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1071.574844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.574844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.574844 (E_RNA) where: Base-Base interactions energy: -517.128 where: short stacking energy: -300.996 Base-Backbone interact. energy: 1.293 local terms energy: -555.740539 where: bonds (distance) C4'-P energy: -152.967 bonds (distance) P-C4' energy: -154.934 flat angles C4'-P-C4' energy: -151.424 flat angles P-C4'-P energy: -80.730 tors. eta vs tors. theta energy: -15.686 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: 8 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -881.606452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.606452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.606452 (E_RNA) where: Base-Base interactions energy: -425.933 where: short stacking energy: -251.566 Base-Backbone interact. energy: 5.291 local terms energy: -460.965113 where: bonds (distance) C4'-P energy: -144.278 bonds (distance) P-C4' energy: -151.699 flat angles C4'-P-C4' energy: -113.897 flat angles P-C4'-P energy: -66.006 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: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -651.251056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.251056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.251056 (E_RNA) where: Base-Base interactions energy: -201.400 where: short stacking energy: -189.319 Base-Backbone interact. energy: 4.987 local terms energy: -454.837297 where: bonds (distance) C4'-P energy: -149.106 bonds (distance) P-C4' energy: -144.217 flat angles C4'-P-C4' energy: -110.950 flat angles P-C4'-P energy: -73.854 tors. eta vs tors. theta energy: 23.290 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: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2956.981507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.981507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.981507 (E_RNA) where: Base-Base interactions energy: -1996.604 where: short stacking energy: -858.352 Base-Backbone interact. energy: -2.297 local terms energy: -958.080617 where: bonds (distance) C4'-P energy: -187.747 bonds (distance) P-C4' energy: -172.736 flat angles C4'-P-C4' energy: -207.403 flat angles P-C4'-P energy: -143.063 tors. eta vs tors. theta energy: -247.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2774.164711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.164711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.164711 (E_RNA) where: Base-Base interactions energy: -1841.469 where: short stacking energy: -797.174 Base-Backbone interact. energy: -2.921 local terms energy: -929.775309 where: bonds (distance) C4'-P energy: -175.495 bonds (distance) P-C4' energy: -179.379 flat angles C4'-P-C4' energy: -199.764 flat angles P-C4'-P energy: -126.001 tors. eta vs tors. theta energy: -249.136 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: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2572.222126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.222126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.222126 (E_RNA) where: Base-Base interactions energy: -1704.916 where: short stacking energy: -758.023 Base-Backbone interact. energy: -2.022 local terms energy: -865.284807 where: bonds (distance) C4'-P energy: -168.172 bonds (distance) P-C4' energy: -164.658 flat angles C4'-P-C4' energy: -198.773 flat angles P-C4'-P energy: -118.529 tors. eta vs tors. theta energy: -215.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2238.804058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.804058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.804058 (E_RNA) where: Base-Base interactions energy: -1426.670 where: short stacking energy: -665.558 Base-Backbone interact. energy: 0.285 local terms energy: -812.418584 where: bonds (distance) C4'-P energy: -157.890 bonds (distance) P-C4' energy: -179.847 flat angles C4'-P-C4' energy: -184.085 flat angles P-C4'-P energy: -121.038 tors. eta vs tors. theta energy: -169.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2195.059855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.059855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.059855 (E_RNA) where: Base-Base interactions energy: -1422.218 where: short stacking energy: -612.815 Base-Backbone interact. energy: 0.383 local terms energy: -773.225179 where: bonds (distance) C4'-P energy: -148.352 bonds (distance) P-C4' energy: -184.131 flat angles C4'-P-C4' energy: -173.132 flat angles P-C4'-P energy: -118.153 tors. eta vs tors. theta energy: -149.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1710.084273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.084273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.084273 (E_RNA) where: Base-Base interactions energy: -1042.137 where: short stacking energy: -488.311 Base-Backbone interact. energy: -0.348 local terms energy: -667.599583 where: bonds (distance) C4'-P energy: -156.841 bonds (distance) P-C4' energy: -163.084 flat angles C4'-P-C4' energy: -155.416 flat angles P-C4'-P energy: -109.097 tors. eta vs tors. theta energy: -83.162 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: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1377.699300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.699300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.699300 (E_RNA) where: Base-Base interactions energy: -771.036 where: short stacking energy: -390.871 Base-Backbone interact. energy: -0.776 local terms energy: -605.886968 where: bonds (distance) C4'-P energy: -158.917 bonds (distance) P-C4' energy: -135.561 flat angles C4'-P-C4' energy: -173.108 flat angles P-C4'-P energy: -83.318 tors. eta vs tors. theta energy: -54.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1046.259532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.259532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.259532 (E_RNA) where: Base-Base interactions energy: -520.574 where: short stacking energy: -299.172 Base-Backbone interact. energy: 0.123 local terms energy: -525.809188 where: bonds (distance) C4'-P energy: -138.782 bonds (distance) P-C4' energy: -143.289 flat angles C4'-P-C4' energy: -141.793 flat angles P-C4'-P energy: -88.420 tors. eta vs tors. theta energy: -13.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -832.345094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.345094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.345094 (E_RNA) where: Base-Base interactions energy: -357.364 where: short stacking energy: -249.161 Base-Backbone interact. energy: -1.232 local terms energy: -473.749329 where: bonds (distance) C4'-P energy: -140.649 bonds (distance) P-C4' energy: -147.318 flat angles C4'-P-C4' energy: -142.375 flat angles P-C4'-P energy: -64.570 tors. eta vs tors. theta energy: 21.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -662.225800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.225800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.225800 (E_RNA) where: Base-Base interactions energy: -220.860 where: short stacking energy: -158.356 Base-Backbone interact. energy: -3.718 local terms energy: -437.648200 where: bonds (distance) C4'-P energy: -124.680 bonds (distance) P-C4' energy: -148.422 flat angles C4'-P-C4' energy: -127.233 flat angles P-C4'-P energy: -61.876 tors. eta vs tors. theta energy: 24.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2934.734397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.734397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.734397 (E_RNA) where: Base-Base interactions energy: -1989.984 where: short stacking energy: -834.528 Base-Backbone interact. energy: -4.274 local terms energy: -940.476268 where: bonds (distance) C4'-P energy: -184.873 bonds (distance) P-C4' energy: -175.306 flat angles C4'-P-C4' energy: -204.845 flat angles P-C4'-P energy: -128.893 tors. eta vs tors. theta energy: -246.560 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: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2610.354916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.354916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.354916 (E_RNA) where: Base-Base interactions energy: -1691.899 where: short stacking energy: -773.898 Base-Backbone interact. energy: -1.560 local terms energy: -916.896229 where: bonds (distance) C4'-P energy: -182.255 bonds (distance) P-C4' energy: -176.614 flat angles C4'-P-C4' energy: -195.947 flat angles P-C4'-P energy: -126.087 tors. eta vs tors. theta energy: -235.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2739.882154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.882154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.882154 (E_RNA) where: Base-Base interactions energy: -1851.436 where: short stacking energy: -765.719 Base-Backbone interact. energy: -6.399 local terms energy: -882.046501 where: bonds (distance) C4'-P energy: -179.388 bonds (distance) P-C4' energy: -166.147 flat angles C4'-P-C4' energy: -189.392 flat angles P-C4'-P energy: -122.585 tors. eta vs tors. theta energy: -224.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2337.297851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.297851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.297851 (E_RNA) where: Base-Base interactions energy: -1516.653 where: short stacking energy: -686.873 Base-Backbone interact. energy: -2.564 local terms energy: -818.081138 where: bonds (distance) C4'-P energy: -138.049 bonds (distance) P-C4' energy: -190.135 flat angles C4'-P-C4' energy: -182.704 flat angles P-C4'-P energy: -129.801 tors. eta vs tors. theta energy: -177.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2190.965249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.965249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.965249 (E_RNA) where: Base-Base interactions energy: -1414.480 where: short stacking energy: -640.499 Base-Backbone interact. energy: -2.480 local terms energy: -774.005370 where: bonds (distance) C4'-P energy: -160.241 bonds (distance) P-C4' energy: -164.705 flat angles C4'-P-C4' energy: -162.502 flat angles P-C4'-P energy: -115.153 tors. eta vs tors. theta energy: -171.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1715.472759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.472759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.472759 (E_RNA) where: Base-Base interactions energy: -1014.645 where: short stacking energy: -488.286 Base-Backbone interact. energy: 1.138 local terms energy: -701.965843 where: bonds (distance) C4'-P energy: -165.435 bonds (distance) P-C4' energy: -156.297 flat angles C4'-P-C4' energy: -175.862 flat angles P-C4'-P energy: -110.833 tors. eta vs tors. theta energy: -93.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1329.634026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.634026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.634026 (E_RNA) where: Base-Base interactions energy: -768.943 where: short stacking energy: -391.319 Base-Backbone interact. energy: 0.684 local terms energy: -561.374638 where: bonds (distance) C4'-P energy: -157.285 bonds (distance) P-C4' energy: -144.469 flat angles C4'-P-C4' energy: -137.442 flat angles P-C4'-P energy: -79.134 tors. eta vs tors. theta energy: -43.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1051.927481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.927481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.927481 (E_RNA) where: Base-Base interactions energy: -511.574 where: short stacking energy: -276.468 Base-Backbone interact. energy: 1.170 local terms energy: -541.524103 where: bonds (distance) C4'-P energy: -141.117 bonds (distance) P-C4' energy: -158.360 flat angles C4'-P-C4' energy: -135.925 flat angles P-C4'-P energy: -97.572 tors. eta vs tors. theta energy: -8.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -815.268991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.268991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.268991 (E_RNA) where: Base-Base interactions energy: -342.022 where: short stacking energy: -221.137 Base-Backbone interact. energy: 4.151 local terms energy: -477.397877 where: bonds (distance) C4'-P energy: -141.082 bonds (distance) P-C4' energy: -175.376 flat angles C4'-P-C4' energy: -130.393 flat angles P-C4'-P energy: -60.691 tors. eta vs tors. theta energy: 30.144 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: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -637.107907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.107907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.107907 (E_RNA) where: Base-Base interactions energy: -241.364 where: short stacking energy: -193.469 Base-Backbone interact. energy: 6.016 local terms energy: -401.760811 where: bonds (distance) C4'-P energy: -117.259 bonds (distance) P-C4' energy: -117.860 flat angles C4'-P-C4' energy: -124.073 flat angles P-C4'-P energy: -71.197 tors. eta vs tors. theta energy: 28.628 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: 108 Temperature: 0.900000 Total energy: -2902.392551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.392551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.392551 (E_RNA) where: Base-Base interactions energy: -1973.549 where: short stacking energy: -839.158 Base-Backbone interact. energy: 1.753 local terms energy: -930.596425 where: bonds (distance) C4'-P energy: -174.686 bonds (distance) P-C4' energy: -174.847 flat angles C4'-P-C4' energy: -203.163 flat angles P-C4'-P energy: -122.742 tors. eta vs tors. theta energy: -255.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2630.029597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.029597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.029597 (E_RNA) where: Base-Base interactions energy: -1718.753 where: short stacking energy: -789.441 Base-Backbone interact. energy: 2.744 local terms energy: -914.020350 where: bonds (distance) C4'-P energy: -185.786 bonds (distance) P-C4' energy: -190.301 flat angles C4'-P-C4' energy: -190.880 flat angles P-C4'-P energy: -123.613 tors. eta vs tors. theta energy: -223.440 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: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2655.609631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.609631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.609631 (E_RNA) where: Base-Base interactions energy: -1766.303 where: short stacking energy: -766.653 Base-Backbone interact. energy: -3.085 local terms energy: -886.221750 where: bonds (distance) C4'-P energy: -165.902 bonds (distance) P-C4' energy: -177.751 flat angles C4'-P-C4' energy: -193.217 flat angles P-C4'-P energy: -129.714 tors. eta vs tors. theta energy: -219.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2300.156042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.156042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.156042 (E_RNA) where: Base-Base interactions energy: -1493.095 where: short stacking energy: -680.065 Base-Backbone interact. energy: -1.046 local terms energy: -806.015734 where: bonds (distance) C4'-P energy: -158.771 bonds (distance) P-C4' energy: -170.865 flat angles C4'-P-C4' energy: -182.947 flat angles P-C4'-P energy: -106.444 tors. eta vs tors. theta energy: -186.989 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: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2139.305087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.305087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.305087 (E_RNA) where: Base-Base interactions energy: -1363.848 where: short stacking energy: -591.480 Base-Backbone interact. energy: -0.659 local terms energy: -774.798722 where: bonds (distance) C4'-P energy: -156.232 bonds (distance) P-C4' energy: -162.980 flat angles C4'-P-C4' energy: -183.800 flat angles P-C4'-P energy: -110.800 tors. eta vs tors. theta energy: -160.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1643.930586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.930586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.930586 (E_RNA) where: Base-Base interactions energy: -989.839 where: short stacking energy: -491.577 Base-Backbone interact. energy: 4.335 local terms energy: -658.426398 where: bonds (distance) C4'-P energy: -154.580 bonds (distance) P-C4' energy: -157.943 flat angles C4'-P-C4' energy: -140.178 flat angles P-C4'-P energy: -105.495 tors. eta vs tors. theta energy: -100.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1401.378423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.378423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.378423 (E_RNA) where: Base-Base interactions energy: -773.203 where: short stacking energy: -396.105 Base-Backbone interact. energy: -0.306 local terms energy: -627.868922 where: bonds (distance) C4'-P energy: -169.802 bonds (distance) P-C4' energy: -172.815 flat angles C4'-P-C4' energy: -142.424 flat angles P-C4'-P energy: -89.953 tors. eta vs tors. theta energy: -52.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1059.558434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.558434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.558434 (E_RNA) where: Base-Base interactions energy: -515.090 where: short stacking energy: -311.363 Base-Backbone interact. energy: 0.256 local terms energy: -544.724770 where: bonds (distance) C4'-P energy: -138.982 bonds (distance) P-C4' energy: -179.088 flat angles C4'-P-C4' energy: -132.971 flat angles P-C4'-P energy: -71.044 tors. eta vs tors. theta energy: -22.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -869.687953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.687953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.687953 (E_RNA) where: Base-Base interactions energy: -365.027 where: short stacking energy: -231.665 Base-Backbone interact. energy: -0.403 local terms energy: -504.257524 where: bonds (distance) C4'-P energy: -162.170 bonds (distance) P-C4' energy: -157.399 flat angles C4'-P-C4' energy: -148.717 flat angles P-C4'-P energy: -60.716 tors. eta vs tors. theta energy: 24.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -707.584889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.584889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.584889 (E_RNA) where: Base-Base interactions energy: -279.256 where: short stacking energy: -204.776 Base-Backbone interact. energy: 4.046 local terms energy: -432.374167 where: bonds (distance) C4'-P energy: -135.820 bonds (distance) P-C4' energy: -136.360 flat angles C4'-P-C4' energy: -127.617 flat angles P-C4'-P energy: -58.998 tors. eta vs tors. theta energy: 26.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2972.461974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.461974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.461974 (E_RNA) where: Base-Base interactions energy: -1984.933 where: short stacking energy: -853.017 Base-Backbone interact. energy: -4.979 local terms energy: -982.549484 where: bonds (distance) C4'-P energy: -186.595 bonds (distance) P-C4' energy: -193.684 flat angles C4'-P-C4' energy: -204.253 flat angles P-C4'-P energy: -130.988 tors. eta vs tors. theta energy: -267.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2743.237440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.237440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.237440 (E_RNA) where: Base-Base interactions energy: -1810.328 where: short stacking energy: -744.081 Base-Backbone interact. energy: -9.203 local terms energy: -923.706230 where: bonds (distance) C4'-P energy: -176.192 bonds (distance) P-C4' energy: -178.870 flat angles C4'-P-C4' energy: -193.062 flat angles P-C4'-P energy: -144.889 tors. eta vs tors. theta energy: -230.692 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: 3, replica: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2547.115236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.115236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.115236 (E_RNA) where: Base-Base interactions energy: -1640.034 where: short stacking energy: -743.762 Base-Backbone interact. energy: -4.104 local terms energy: -902.976691 where: bonds (distance) C4'-P energy: -165.536 bonds (distance) P-C4' energy: -183.486 flat angles C4'-P-C4' energy: -206.337 flat angles P-C4'-P energy: -123.796 tors. eta vs tors. theta energy: -223.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2354.322541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.322541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.322541 (E_RNA) where: Base-Base interactions energy: -1520.415 where: short stacking energy: -649.434 Base-Backbone interact. energy: 3.390 local terms energy: -837.297874 where: bonds (distance) C4'-P energy: -182.257 bonds (distance) P-C4' energy: -175.645 flat angles C4'-P-C4' energy: -186.562 flat angles P-C4'-P energy: -125.480 tors. eta vs tors. theta energy: -167.353 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: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2194.797403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.797403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.797403 (E_RNA) where: Base-Base interactions energy: -1430.383 where: short stacking energy: -612.927 Base-Backbone interact. energy: 1.818 local terms energy: -766.232702 where: bonds (distance) C4'-P energy: -155.430 bonds (distance) P-C4' energy: -169.136 flat angles C4'-P-C4' energy: -176.410 flat angles P-C4'-P energy: -108.468 tors. eta vs tors. theta energy: -156.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1650.622430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.622430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.622430 (E_RNA) where: Base-Base interactions energy: -973.946 where: short stacking energy: -443.717 Base-Backbone interact. energy: -5.775 local terms energy: -670.901687 where: bonds (distance) C4'-P energy: -166.436 bonds (distance) P-C4' energy: -159.204 flat angles C4'-P-C4' energy: -142.032 flat angles P-C4'-P energy: -105.343 tors. eta vs tors. theta energy: -97.887 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: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1316.296690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.296690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.296690 (E_RNA) where: Base-Base interactions energy: -676.186 where: short stacking energy: -327.476 Base-Backbone interact. energy: -0.960 local terms energy: -639.151141 where: bonds (distance) C4'-P energy: -175.354 bonds (distance) P-C4' energy: -186.726 flat angles C4'-P-C4' energy: -145.963 flat angles P-C4'-P energy: -101.872 tors. eta vs tors. theta energy: -29.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1049.359980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.359980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.359980 (E_RNA) where: Base-Base interactions energy: -495.251 where: short stacking energy: -284.657 Base-Backbone interact. energy: 1.988 local terms energy: -556.097840 where: bonds (distance) C4'-P energy: -131.779 bonds (distance) P-C4' energy: -168.873 flat angles C4'-P-C4' energy: -140.504 flat angles P-C4'-P energy: -94.571 tors. eta vs tors. theta energy: -20.371 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: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -860.329887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.329887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.329887 (E_RNA) where: Base-Base interactions energy: -364.806 where: short stacking energy: -221.149 Base-Backbone interact. energy: 5.559 local terms energy: -501.082301 where: bonds (distance) C4'-P energy: -145.947 bonds (distance) P-C4' energy: -143.619 flat angles C4'-P-C4' energy: -145.849 flat angles P-C4'-P energy: -87.244 tors. eta vs tors. theta energy: 21.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -718.088236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.088236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.088236 (E_RNA) where: Base-Base interactions energy: -285.179 where: short stacking energy: -191.371 Base-Backbone interact. energy: -7.683 local terms energy: -425.225875 where: bonds (distance) C4'-P energy: -136.763 bonds (distance) P-C4' energy: -143.969 flat angles C4'-P-C4' energy: -102.199 flat angles P-C4'-P energy: -68.543 tors. eta vs tors. theta energy: 26.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2975.096019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.096019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.096019 (E_RNA) where: Base-Base interactions energy: -2007.043 where: short stacking energy: -840.581 Base-Backbone interact. energy: -3.989 local terms energy: -964.064323 where: bonds (distance) C4'-P energy: -168.194 bonds (distance) P-C4' energy: -181.355 flat angles C4'-P-C4' energy: -207.466 flat angles P-C4'-P energy: -146.514 tors. eta vs tors. theta energy: -260.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2713.481468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.481468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.481468 (E_RNA) where: Base-Base interactions energy: -1817.950 where: short stacking energy: -762.565 Base-Backbone interact. energy: -1.071 local terms energy: -894.460488 where: bonds (distance) C4'-P energy: -167.506 bonds (distance) P-C4' energy: -179.667 flat angles C4'-P-C4' energy: -198.101 flat angles P-C4'-P energy: -122.590 tors. eta vs tors. theta energy: -226.597 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: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2550.270707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.270707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.270707 (E_RNA) where: Base-Base interactions energy: -1641.560 where: short stacking energy: -750.880 Base-Backbone interact. energy: -2.720 local terms energy: -905.990022 where: bonds (distance) C4'-P energy: -175.411 bonds (distance) P-C4' energy: -177.324 flat angles C4'-P-C4' energy: -196.435 flat angles P-C4'-P energy: -137.716 tors. eta vs tors. theta energy: -219.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2336.833453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.833453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.833453 (E_RNA) where: Base-Base interactions energy: -1523.659 where: short stacking energy: -653.707 Base-Backbone interact. energy: -6.061 local terms energy: -807.112899 where: bonds (distance) C4'-P energy: -160.336 bonds (distance) P-C4' energy: -181.067 flat angles C4'-P-C4' energy: -186.753 flat angles P-C4'-P energy: -94.860 tors. eta vs tors. theta energy: -184.097 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: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2137.384216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.384216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.384216 (E_RNA) where: Base-Base interactions energy: -1370.862 where: short stacking energy: -610.367 Base-Backbone interact. energy: -0.890 local terms energy: -765.632671 where: bonds (distance) C4'-P energy: -154.558 bonds (distance) P-C4' energy: -170.195 flat angles C4'-P-C4' energy: -180.344 flat angles P-C4'-P energy: -117.588 tors. eta vs tors. theta energy: -142.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1665.578025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.578025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.578025 (E_RNA) where: Base-Base interactions energy: -1011.361 where: short stacking energy: -472.500 Base-Backbone interact. energy: 5.070 local terms energy: -659.287363 where: bonds (distance) C4'-P energy: -152.821 bonds (distance) P-C4' energy: -166.378 flat angles C4'-P-C4' energy: -149.217 flat angles P-C4'-P energy: -89.214 tors. eta vs tors. theta energy: -101.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1425.068065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.068065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.068065 (E_RNA) where: Base-Base interactions energy: -779.948 where: short stacking energy: -368.951 Base-Backbone interact. energy: 7.128 local terms energy: -652.247886 where: bonds (distance) C4'-P energy: -176.307 bonds (distance) P-C4' energy: -155.252 flat angles C4'-P-C4' energy: -158.421 flat angles P-C4'-P energy: -94.066 tors. eta vs tors. theta energy: -68.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1008.862300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.862300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.862300 (E_RNA) where: Base-Base interactions energy: -495.784 where: short stacking energy: -295.062 Base-Backbone interact. energy: 8.454 local terms energy: -521.531450 where: bonds (distance) C4'-P energy: -153.961 bonds (distance) P-C4' energy: -124.537 flat angles C4'-P-C4' energy: -149.709 flat angles P-C4'-P energy: -91.496 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -839.875602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.875602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.875602 (E_RNA) where: Base-Base interactions energy: -388.150 where: short stacking energy: -221.137 Base-Backbone interact. energy: 3.060 local terms energy: -454.785469 where: bonds (distance) C4'-P energy: -145.863 bonds (distance) P-C4' energy: -160.556 flat angles C4'-P-C4' energy: -110.151 flat angles P-C4'-P energy: -60.518 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: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -701.167028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.167028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.167028 (E_RNA) where: Base-Base interactions energy: -274.752 where: short stacking energy: -180.695 Base-Backbone interact. energy: -0.913 local terms energy: -425.501976 where: bonds (distance) C4'-P energy: -156.708 bonds (distance) P-C4' energy: -147.246 flat angles C4'-P-C4' energy: -124.152 flat angles P-C4'-P energy: -48.157 tors. eta vs tors. theta energy: 50.761 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: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2966.055508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.055508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.055508 (E_RNA) where: Base-Base interactions energy: -1977.367 where: short stacking energy: -864.092 Base-Backbone interact. energy: -3.157 local terms energy: -985.530941 where: bonds (distance) C4'-P energy: -182.692 bonds (distance) P-C4' energy: -187.918 flat angles C4'-P-C4' energy: -210.693 flat angles P-C4'-P energy: -140.409 tors. eta vs tors. theta energy: -263.820 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: 2, replica: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2743.542979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.542979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.542979 (E_RNA) where: Base-Base interactions energy: -1826.570 where: short stacking energy: -754.216 Base-Backbone interact. energy: -1.061 local terms energy: -915.912854 where: bonds (distance) C4'-P energy: -163.898 bonds (distance) P-C4' energy: -178.033 flat angles C4'-P-C4' energy: -213.355 flat angles P-C4'-P energy: -133.818 tors. eta vs tors. theta energy: -226.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2527.130105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.130105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.130105 (E_RNA) where: Base-Base interactions energy: -1646.876 where: short stacking energy: -731.589 Base-Backbone interact. energy: -5.512 local terms energy: -874.741367 where: bonds (distance) C4'-P energy: -159.115 bonds (distance) P-C4' energy: -186.903 flat angles C4'-P-C4' energy: -186.245 flat angles P-C4'-P energy: -122.739 tors. eta vs tors. theta energy: -219.740 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: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2344.392483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.392483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.392483 (E_RNA) where: Base-Base interactions energy: -1516.446 where: short stacking energy: -671.194 Base-Backbone interact. energy: -0.840 local terms energy: -827.107386 where: bonds (distance) C4'-P energy: -173.249 bonds (distance) P-C4' energy: -154.474 flat angles C4'-P-C4' energy: -189.677 flat angles P-C4'-P energy: -127.302 tors. eta vs tors. theta energy: -182.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2159.290306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.290306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.290306 (E_RNA) where: Base-Base interactions energy: -1383.190 where: short stacking energy: -642.719 Base-Backbone interact. energy: 2.089 local terms energy: -778.190111 where: bonds (distance) C4'-P energy: -162.133 bonds (distance) P-C4' energy: -175.906 flat angles C4'-P-C4' energy: -170.819 flat angles P-C4'-P energy: -98.340 tors. eta vs tors. theta energy: -170.992 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: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1652.875479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.875479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.875479 (E_RNA) where: Base-Base interactions energy: -1002.645 where: short stacking energy: -459.048 Base-Backbone interact. energy: -2.996 local terms energy: -647.234437 where: bonds (distance) C4'-P energy: -145.605 bonds (distance) P-C4' energy: -154.998 flat angles C4'-P-C4' energy: -172.248 flat angles P-C4'-P energy: -99.632 tors. eta vs tors. theta energy: -74.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1454.902013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.902013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.902013 (E_RNA) where: Base-Base interactions energy: -813.971 where: short stacking energy: -369.538 Base-Backbone interact. energy: 1.169 local terms energy: -642.099678 where: bonds (distance) C4'-P energy: -156.402 bonds (distance) P-C4' energy: -168.683 flat angles C4'-P-C4' energy: -163.338 flat angles P-C4'-P energy: -96.148 tors. eta vs tors. theta energy: -57.530 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: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -994.861167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.861167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.861167 (E_RNA) where: Base-Base interactions energy: -449.734 where: short stacking energy: -279.820 Base-Backbone interact. energy: 3.972 local terms energy: -549.099146 where: bonds (distance) C4'-P energy: -146.148 bonds (distance) P-C4' energy: -148.702 flat angles C4'-P-C4' energy: -165.264 flat angles P-C4'-P energy: -79.360 tors. eta vs tors. theta energy: -9.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -996.315822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.315822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.315822 (E_RNA) where: Base-Base interactions energy: -493.167 where: short stacking energy: -258.130 Base-Backbone interact. energy: 1.156 local terms energy: -504.304788 where: bonds (distance) C4'-P energy: -149.178 bonds (distance) P-C4' energy: -135.630 flat angles C4'-P-C4' energy: -138.277 flat angles P-C4'-P energy: -79.342 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -678.418683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.418683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.418683 (E_RNA) where: Base-Base interactions energy: -229.061 where: short stacking energy: -188.157 Base-Backbone interact. energy: 0.855 local terms energy: -450.213309 where: bonds (distance) C4'-P energy: -133.114 bonds (distance) P-C4' energy: -163.637 flat angles C4'-P-C4' energy: -147.765 flat angles P-C4'-P energy: -58.106 tors. eta vs tors. theta energy: 52.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2919.128083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.128083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.128083 (E_RNA) where: Base-Base interactions energy: -1965.043 where: short stacking energy: -837.519 Base-Backbone interact. energy: -5.420 local terms energy: -948.665100 where: bonds (distance) C4'-P energy: -163.808 bonds (distance) P-C4' energy: -183.517 flat angles C4'-P-C4' energy: -202.294 flat angles P-C4'-P energy: -144.048 tors. eta vs tors. theta energy: -254.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2762.278002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.278002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.278002 (E_RNA) where: Base-Base interactions energy: -1838.690 where: short stacking energy: -768.318 Base-Backbone interact. energy: 0.908 local terms energy: -924.495650 where: bonds (distance) C4'-P energy: -181.969 bonds (distance) P-C4' energy: -182.110 flat angles C4'-P-C4' energy: -210.454 flat angles P-C4'-P energy: -124.806 tors. eta vs tors. theta energy: -225.156 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: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2501.682594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.682594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.682594 (E_RNA) where: Base-Base interactions energy: -1637.906 where: short stacking energy: -729.590 Base-Backbone interact. energy: -5.946 local terms energy: -857.830104 where: bonds (distance) C4'-P energy: -173.612 bonds (distance) P-C4' energy: -183.924 flat angles C4'-P-C4' energy: -184.519 flat angles P-C4'-P energy: -108.595 tors. eta vs tors. theta energy: -207.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2352.229774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.229774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.229774 (E_RNA) where: Base-Base interactions energy: -1529.386 where: short stacking energy: -667.470 Base-Backbone interact. energy: 2.801 local terms energy: -825.644849 where: bonds (distance) C4'-P energy: -168.684 bonds (distance) P-C4' energy: -165.974 flat angles C4'-P-C4' energy: -182.243 flat angles P-C4'-P energy: -130.352 tors. eta vs tors. theta energy: -178.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2135.565048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.565048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.565048 (E_RNA) where: Base-Base interactions energy: -1370.625 where: short stacking energy: -600.285 Base-Backbone interact. energy: -0.408 local terms energy: -764.531990 where: bonds (distance) C4'-P energy: -189.742 bonds (distance) P-C4' energy: -156.101 flat angles C4'-P-C4' energy: -165.269 flat angles P-C4'-P energy: -108.688 tors. eta vs tors. theta energy: -144.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1649.326263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.326263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.326263 (E_RNA) where: Base-Base interactions energy: -1003.551 where: short stacking energy: -472.399 Base-Backbone interact. energy: -2.433 local terms energy: -643.342342 where: bonds (distance) C4'-P energy: -153.313 bonds (distance) P-C4' energy: -157.776 flat angles C4'-P-C4' energy: -141.418 flat angles P-C4'-P energy: -96.282 tors. eta vs tors. theta energy: -94.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1404.576441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.576441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.576441 (E_RNA) where: Base-Base interactions energy: -804.354 where: short stacking energy: -417.870 Base-Backbone interact. energy: 1.411 local terms energy: -601.632644 where: bonds (distance) C4'-P energy: -162.882 bonds (distance) P-C4' energy: -139.872 flat angles C4'-P-C4' energy: -156.164 flat angles P-C4'-P energy: -72.407 tors. eta vs tors. theta energy: -70.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -896.884558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.884558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.884558 (E_RNA) where: Base-Base interactions energy: -391.904 where: short stacking energy: -236.066 Base-Backbone interact. energy: -0.931 local terms energy: -504.049462 where: bonds (distance) C4'-P energy: -144.483 bonds (distance) P-C4' energy: -163.716 flat angles C4'-P-C4' energy: -128.606 flat angles P-C4'-P energy: -89.272 tors. eta vs tors. theta energy: 22.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -980.381919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.381919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.381919 (E_RNA) where: Base-Base interactions energy: -482.166 where: short stacking energy: -259.012 Base-Backbone interact. energy: -2.698 local terms energy: -495.517981 where: bonds (distance) C4'-P energy: -136.363 bonds (distance) P-C4' energy: -158.798 flat angles C4'-P-C4' energy: -146.049 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: -8.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -647.238836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.238836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.238836 (E_RNA) where: Base-Base interactions energy: -225.595 where: short stacking energy: -166.151 Base-Backbone interact. energy: -4.298 local terms energy: -417.345505 where: bonds (distance) C4'-P energy: -142.080 bonds (distance) P-C4' energy: -118.747 flat angles C4'-P-C4' energy: -135.645 flat angles P-C4'-P energy: -53.749 tors. eta vs tors. theta energy: 32.876 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: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2891.976928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.976928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.976928 (E_RNA) where: Base-Base interactions energy: -1941.682 where: short stacking energy: -836.217 Base-Backbone interact. energy: -3.172 local terms energy: -947.122767 where: bonds (distance) C4'-P energy: -170.361 bonds (distance) P-C4' energy: -193.097 flat angles C4'-P-C4' energy: -197.671 flat angles P-C4'-P energy: -129.198 tors. eta vs tors. theta energy: -256.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2771.642821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.642821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.642821 (E_RNA) where: Base-Base interactions energy: -1850.049 where: short stacking energy: -799.494 Base-Backbone interact. energy: 1.989 local terms energy: -923.582496 where: bonds (distance) C4'-P energy: -163.044 bonds (distance) P-C4' energy: -173.015 flat angles C4'-P-C4' energy: -206.310 flat angles P-C4'-P energy: -134.785 tors. eta vs tors. theta energy: -246.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2527.407370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.407370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.407370 (E_RNA) where: Base-Base interactions energy: -1670.710 where: short stacking energy: -716.571 Base-Backbone interact. energy: -1.839 local terms energy: -854.858171 where: bonds (distance) C4'-P energy: -181.532 bonds (distance) P-C4' energy: -175.135 flat angles C4'-P-C4' energy: -193.122 flat angles P-C4'-P energy: -107.593 tors. eta vs tors. theta energy: -197.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2392.802377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.802377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.802377 (E_RNA) where: Base-Base interactions energy: -1608.377 where: short stacking energy: -683.168 Base-Backbone interact. energy: 2.730 local terms energy: -787.155186 where: bonds (distance) C4'-P energy: -167.907 bonds (distance) P-C4' energy: -146.403 flat angles C4'-P-C4' energy: -175.219 flat angles P-C4'-P energy: -118.966 tors. eta vs tors. theta energy: -178.661 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: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2049.393936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.393936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.393936 (E_RNA) where: Base-Base interactions energy: -1291.029 where: short stacking energy: -537.941 Base-Backbone interact. energy: -5.026 local terms energy: -753.338857 where: bonds (distance) C4'-P energy: -175.791 bonds (distance) P-C4' energy: -150.720 flat angles C4'-P-C4' energy: -169.636 flat angles P-C4'-P energy: -119.943 tors. eta vs tors. theta energy: -137.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1700.924784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.924784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.924784 (E_RNA) where: Base-Base interactions energy: -1020.695 where: short stacking energy: -461.169 Base-Backbone interact. energy: -2.189 local terms energy: -678.040793 where: bonds (distance) C4'-P energy: -173.277 bonds (distance) P-C4' energy: -155.371 flat angles C4'-P-C4' energy: -170.257 flat angles P-C4'-P energy: -101.959 tors. eta vs tors. theta energy: -77.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1323.899130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.899130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.899130 (E_RNA) where: Base-Base interactions energy: -712.102 where: short stacking energy: -373.027 Base-Backbone interact. energy: -0.817 local terms energy: -610.980019 where: bonds (distance) C4'-P energy: -165.268 bonds (distance) P-C4' energy: -160.838 flat angles C4'-P-C4' energy: -154.792 flat angles P-C4'-P energy: -74.218 tors. eta vs tors. theta energy: -55.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1070.830421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.830421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.830421 (E_RNA) where: Base-Base interactions energy: -537.730 where: short stacking energy: -307.770 Base-Backbone interact. energy: 3.756 local terms energy: -536.856124 where: bonds (distance) C4'-P energy: -150.071 bonds (distance) P-C4' energy: -169.867 flat angles C4'-P-C4' energy: -113.934 flat angles P-C4'-P energy: -82.962 tors. eta vs tors. theta energy: -20.021 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: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -829.218385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.218385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.218385 (E_RNA) where: Base-Base interactions energy: -371.098 where: short stacking energy: -230.219 Base-Backbone interact. energy: 6.152 local terms energy: -464.271832 where: bonds (distance) C4'-P energy: -159.737 bonds (distance) P-C4' energy: -150.473 flat angles C4'-P-C4' energy: -127.620 flat angles P-C4'-P energy: -60.408 tors. eta vs tors. theta energy: 33.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -691.507083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.507083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.507083 (E_RNA) where: Base-Base interactions energy: -224.531 where: short stacking energy: -172.381 Base-Backbone interact. energy: -4.347 local terms energy: -462.629669 where: bonds (distance) C4'-P energy: -144.894 bonds (distance) P-C4' energy: -138.764 flat angles C4'-P-C4' energy: -134.723 flat angles P-C4'-P energy: -77.399 tors. eta vs tors. theta energy: 33.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2958.062085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.062085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.062085 (E_RNA) where: Base-Base interactions energy: -1988.839 where: short stacking energy: -868.596 Base-Backbone interact. energy: -1.733 local terms energy: -967.490460 where: bonds (distance) C4'-P energy: -184.537 bonds (distance) P-C4' energy: -182.579 flat angles C4'-P-C4' energy: -201.883 flat angles P-C4'-P energy: -133.454 tors. eta vs tors. theta energy: -265.038 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: 6 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2765.265132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.265132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.265132 (E_RNA) where: Base-Base interactions energy: -1883.585 where: short stacking energy: -765.684 Base-Backbone interact. energy: -3.380 local terms energy: -878.299814 where: bonds (distance) C4'-P energy: -182.864 bonds (distance) P-C4' energy: -158.579 flat angles C4'-P-C4' energy: -189.072 flat angles P-C4'-P energy: -120.577 tors. eta vs tors. theta energy: -227.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2601.217353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.217353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.217353 (E_RNA) where: Base-Base interactions energy: -1734.221 where: short stacking energy: -779.475 Base-Backbone interact. energy: -1.050 local terms energy: -865.946573 where: bonds (distance) C4'-P energy: -157.621 bonds (distance) P-C4' energy: -154.571 flat angles C4'-P-C4' energy: -192.924 flat angles P-C4'-P energy: -143.479 tors. eta vs tors. theta energy: -217.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2424.366730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.366730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.366730 (E_RNA) where: Base-Base interactions energy: -1561.245 where: short stacking energy: -694.145 Base-Backbone interact. energy: -5.829 local terms energy: -857.293492 where: bonds (distance) C4'-P energy: -175.039 bonds (distance) P-C4' energy: -149.295 flat angles C4'-P-C4' energy: -191.545 flat angles P-C4'-P energy: -127.916 tors. eta vs tors. theta energy: -213.498 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: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2089.092397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.092397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.092397 (E_RNA) where: Base-Base interactions energy: -1352.687 where: short stacking energy: -592.373 Base-Backbone interact. energy: -2.507 local terms energy: -733.898456 where: bonds (distance) C4'-P energy: -163.269 bonds (distance) P-C4' energy: -164.211 flat angles C4'-P-C4' energy: -154.791 flat angles P-C4'-P energy: -93.013 tors. eta vs tors. theta energy: -158.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1703.015011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.015011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.015011 (E_RNA) where: Base-Base interactions energy: -1047.569 where: short stacking energy: -459.801 Base-Backbone interact. energy: -1.968 local terms energy: -653.478189 where: bonds (distance) C4'-P energy: -142.216 bonds (distance) P-C4' energy: -159.735 flat angles C4'-P-C4' energy: -159.536 flat angles P-C4'-P energy: -97.587 tors. eta vs tors. theta energy: -94.405 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: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1315.094482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.094482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.094482 (E_RNA) where: Base-Base interactions energy: -734.416 where: short stacking energy: -370.577 Base-Backbone interact. energy: 1.766 local terms energy: -582.444627 where: bonds (distance) C4'-P energy: -137.927 bonds (distance) P-C4' energy: -140.895 flat angles C4'-P-C4' energy: -156.335 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -39.822 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: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1154.582675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.582675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.582675 (E_RNA) where: Base-Base interactions energy: -570.117 where: short stacking energy: -297.686 Base-Backbone interact. energy: -2.491 local terms energy: -581.974496 where: bonds (distance) C4'-P energy: -161.271 bonds (distance) P-C4' energy: -159.240 flat angles C4'-P-C4' energy: -148.962 flat angles P-C4'-P energy: -90.613 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: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -836.585223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.585223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.585223 (E_RNA) where: Base-Base interactions energy: -391.830 where: short stacking energy: -226.168 Base-Backbone interact. energy: 0.819 local terms energy: -445.574389 where: bonds (distance) C4'-P energy: -127.552 bonds (distance) P-C4' energy: -151.672 flat angles C4'-P-C4' energy: -117.100 flat angles P-C4'-P energy: -74.268 tors. eta vs tors. theta energy: 25.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -727.135697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.135697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.135697 (E_RNA) where: Base-Base interactions energy: -288.694 where: short stacking energy: -183.355 Base-Backbone interact. energy: 4.993 local terms energy: -443.434903 where: bonds (distance) C4'-P energy: -152.336 bonds (distance) P-C4' energy: -139.365 flat angles C4'-P-C4' energy: -110.406 flat angles P-C4'-P energy: -78.592 tors. eta vs tors. theta energy: 37.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2961.786726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.786726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.786726 (E_RNA) where: Base-Base interactions energy: -2018.343 where: short stacking energy: -861.075 Base-Backbone interact. energy: -4.182 local terms energy: -939.261840 where: bonds (distance) C4'-P energy: -178.032 bonds (distance) P-C4' energy: -178.543 flat angles C4'-P-C4' energy: -202.582 flat angles P-C4'-P energy: -121.182 tors. eta vs tors. theta energy: -258.922 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: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2798.077733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.077733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.077733 (E_RNA) where: Base-Base interactions energy: -1917.006 where: short stacking energy: -770.228 Base-Backbone interact. energy: -2.173 local terms energy: -878.898522 where: bonds (distance) C4'-P energy: -165.069 bonds (distance) P-C4' energy: -178.268 flat angles C4'-P-C4' energy: -194.119 flat angles P-C4'-P energy: -103.887 tors. eta vs tors. theta energy: -237.556 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: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2529.454412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.454412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.454412 (E_RNA) where: Base-Base interactions energy: -1655.390 where: short stacking energy: -766.180 Base-Backbone interact. energy: 1.871 local terms energy: -875.936179 where: bonds (distance) C4'-P energy: -171.709 bonds (distance) P-C4' energy: -171.885 flat angles C4'-P-C4' energy: -196.098 flat angles P-C4'-P energy: -130.230 tors. eta vs tors. theta energy: -206.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2365.243161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.243161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.243161 (E_RNA) where: Base-Base interactions energy: -1543.728 where: short stacking energy: -689.809 Base-Backbone interact. energy: -1.189 local terms energy: -820.326658 where: bonds (distance) C4'-P energy: -164.583 bonds (distance) P-C4' energy: -155.534 flat angles C4'-P-C4' energy: -191.540 flat angles P-C4'-P energy: -117.854 tors. eta vs tors. theta energy: -190.816 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: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2092.259520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.259520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.259520 (E_RNA) where: Base-Base interactions energy: -1336.570 where: short stacking energy: -626.502 Base-Backbone interact. energy: -2.195 local terms energy: -753.494780 where: bonds (distance) C4'-P energy: -147.517 bonds (distance) P-C4' energy: -160.628 flat angles C4'-P-C4' energy: -180.133 flat angles P-C4'-P energy: -97.011 tors. eta vs tors. theta energy: -168.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1703.337878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.337878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.337878 (E_RNA) where: Base-Base interactions energy: -1027.096 where: short stacking energy: -466.202 Base-Backbone interact. energy: 0.480 local terms energy: -676.721737 where: bonds (distance) C4'-P energy: -139.414 bonds (distance) P-C4' energy: -164.570 flat angles C4'-P-C4' energy: -160.015 flat angles P-C4'-P energy: -118.689 tors. eta vs tors. theta energy: -94.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1213.025789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.025789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.025789 (E_RNA) where: Base-Base interactions energy: -651.797 where: short stacking energy: -332.883 Base-Backbone interact. energy: -3.747 local terms energy: -557.482112 where: bonds (distance) C4'-P energy: -146.492 bonds (distance) P-C4' energy: -162.565 flat angles C4'-P-C4' energy: -145.572 flat angles P-C4'-P energy: -74.900 tors. eta vs tors. theta energy: -27.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1145.462825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.462825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.462825 (E_RNA) where: Base-Base interactions energy: -568.850 where: short stacking energy: -292.422 Base-Backbone interact. energy: -1.896 local terms energy: -574.716302 where: bonds (distance) C4'-P energy: -162.207 bonds (distance) P-C4' energy: -166.547 flat angles C4'-P-C4' energy: -153.606 flat angles P-C4'-P energy: -78.443 tors. eta vs tors. theta energy: -13.914 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: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -863.940779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.940779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.940779 (E_RNA) where: Base-Base interactions energy: -391.066 where: short stacking energy: -220.523 Base-Backbone interact. energy: 0.813 local terms energy: -473.687928 where: bonds (distance) C4'-P energy: -144.631 bonds (distance) P-C4' energy: -150.149 flat angles C4'-P-C4' energy: -122.925 flat angles P-C4'-P energy: -83.596 tors. eta vs tors. theta energy: 27.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -744.539431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.539431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.539431 (E_RNA) where: Base-Base interactions energy: -298.850 where: short stacking energy: -201.618 Base-Backbone interact. energy: 8.056 local terms energy: -453.745128 where: bonds (distance) C4'-P energy: -143.628 bonds (distance) P-C4' energy: -169.646 flat angles C4'-P-C4' energy: -110.457 flat angles P-C4'-P energy: -52.644 tors. eta vs tors. theta energy: 22.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2946.261544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.261544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.261544 (E_RNA) where: Base-Base interactions energy: -1969.014 where: short stacking energy: -860.796 Base-Backbone interact. energy: -3.686 local terms energy: -973.561971 where: bonds (distance) C4'-P energy: -194.716 bonds (distance) P-C4' energy: -186.540 flat angles C4'-P-C4' energy: -212.223 flat angles P-C4'-P energy: -127.283 tors. eta vs tors. theta energy: -252.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2762.058534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.058534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.058534 (E_RNA) where: Base-Base interactions energy: -1842.581 where: short stacking energy: -764.347 Base-Backbone interact. energy: 0.766 local terms energy: -920.243464 where: bonds (distance) C4'-P energy: -174.234 bonds (distance) P-C4' energy: -177.780 flat angles C4'-P-C4' energy: -199.014 flat angles P-C4'-P energy: -138.226 tors. eta vs tors. theta energy: -230.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2540.793269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.793269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.793269 (E_RNA) where: Base-Base interactions energy: -1676.295 where: short stacking energy: -769.681 Base-Backbone interact. energy: -2.965 local terms energy: -861.533265 where: bonds (distance) C4'-P energy: -166.532 bonds (distance) P-C4' energy: -179.430 flat angles C4'-P-C4' energy: -191.077 flat angles P-C4'-P energy: -104.967 tors. eta vs tors. theta energy: -219.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2365.584475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.584475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.584475 (E_RNA) where: Base-Base interactions energy: -1541.195 where: short stacking energy: -679.669 Base-Backbone interact. energy: 7.169 local terms energy: -831.558415 where: bonds (distance) C4'-P energy: -146.687 bonds (distance) P-C4' energy: -176.477 flat angles C4'-P-C4' energy: -184.791 flat angles P-C4'-P energy: -122.777 tors. eta vs tors. theta energy: -200.826 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: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2050.956763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.956763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.956763 (E_RNA) where: Base-Base interactions energy: -1348.892 where: short stacking energy: -593.833 Base-Backbone interact. energy: 1.950 local terms energy: -704.014490 where: bonds (distance) C4'-P energy: -141.563 bonds (distance) P-C4' energy: -149.054 flat angles C4'-P-C4' energy: -171.495 flat angles P-C4'-P energy: -95.502 tors. eta vs tors. theta energy: -146.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1694.145518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.145518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.145518 (E_RNA) where: Base-Base interactions energy: -1070.260 where: short stacking energy: -473.021 Base-Backbone interact. energy: -3.511 local terms energy: -620.374226 where: bonds (distance) C4'-P energy: -125.942 bonds (distance) P-C4' energy: -163.853 flat angles C4'-P-C4' energy: -164.918 flat angles P-C4'-P energy: -82.253 tors. eta vs tors. theta energy: -83.408 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: 116 Temperature: 1.200000 Total energy: -1279.837834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.837834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.837834 (E_RNA) where: Base-Base interactions energy: -678.695 where: short stacking energy: -338.082 Base-Backbone interact. energy: -2.042 local terms energy: -599.101445 where: bonds (distance) C4'-P energy: -163.778 bonds (distance) P-C4' energy: -157.902 flat angles C4'-P-C4' energy: -167.874 flat angles P-C4'-P energy: -76.625 tors. eta vs tors. theta energy: -32.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1177.559745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.559745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.559745 (E_RNA) where: Base-Base interactions energy: -605.628 where: short stacking energy: -302.780 Base-Backbone interact. energy: -3.294 local terms energy: -568.637761 where: bonds (distance) C4'-P energy: -145.300 bonds (distance) P-C4' energy: -148.240 flat angles C4'-P-C4' energy: -150.929 flat angles P-C4'-P energy: -95.033 tors. eta vs tors. theta energy: -29.136 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: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -902.646566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.646566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.646566 (E_RNA) where: Base-Base interactions energy: -404.571 where: short stacking energy: -233.184 Base-Backbone interact. energy: -0.910 local terms energy: -497.165966 where: bonds (distance) C4'-P energy: -159.573 bonds (distance) P-C4' energy: -156.009 flat angles C4'-P-C4' energy: -110.660 flat angles P-C4'-P energy: -98.418 tors. eta vs tors. theta energy: 27.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -780.970935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.970935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.970935 (E_RNA) where: Base-Base interactions energy: -282.702 where: short stacking energy: -160.046 Base-Backbone interact. energy: 0.471 local terms energy: -498.740189 where: bonds (distance) C4'-P energy: -162.791 bonds (distance) P-C4' energy: -178.162 flat angles C4'-P-C4' energy: -122.892 flat angles P-C4'-P energy: -72.876 tors. eta vs tors. theta energy: 37.980 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: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2910.816665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.816665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.816665 (E_RNA) where: Base-Base interactions energy: -1975.107 where: short stacking energy: -828.946 Base-Backbone interact. energy: -3.021 local terms energy: -932.688447 where: bonds (distance) C4'-P energy: -164.945 bonds (distance) P-C4' energy: -188.818 flat angles C4'-P-C4' energy: -195.637 flat angles P-C4'-P energy: -151.199 tors. eta vs tors. theta energy: -232.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2765.284291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.284291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.284291 (E_RNA) where: Base-Base interactions energy: -1820.582 where: short stacking energy: -765.298 Base-Backbone interact. energy: -7.773 local terms energy: -936.929747 where: bonds (distance) C4'-P energy: -169.539 bonds (distance) P-C4' energy: -192.668 flat angles C4'-P-C4' energy: -214.984 flat angles P-C4'-P energy: -121.453 tors. eta vs tors. theta energy: -238.285 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: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2616.868723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.868723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.868723 (E_RNA) where: Base-Base interactions energy: -1750.589 where: short stacking energy: -780.340 Base-Backbone interact. energy: -3.921 local terms energy: -862.358085 where: bonds (distance) C4'-P energy: -158.699 bonds (distance) P-C4' energy: -169.067 flat angles C4'-P-C4' energy: -190.366 flat angles P-C4'-P energy: -124.929 tors. eta vs tors. theta energy: -219.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2378.738809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.738809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.738809 (E_RNA) where: Base-Base interactions energy: -1577.806 where: short stacking energy: -684.771 Base-Backbone interact. energy: 6.319 local terms energy: -807.251663 where: bonds (distance) C4'-P energy: -164.601 bonds (distance) P-C4' energy: -177.259 flat angles C4'-P-C4' energy: -178.107 flat angles P-C4'-P energy: -111.627 tors. eta vs tors. theta energy: -175.657 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: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2132.208243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.208243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.208243 (E_RNA) where: Base-Base interactions energy: -1347.213 where: short stacking energy: -605.205 Base-Backbone interact. energy: -3.902 local terms energy: -781.093206 where: bonds (distance) C4'-P energy: -164.464 bonds (distance) P-C4' energy: -174.702 flat angles C4'-P-C4' energy: -159.753 flat angles P-C4'-P energy: -114.143 tors. eta vs tors. theta energy: -168.031 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: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1714.159406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.159406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.159406 (E_RNA) where: Base-Base interactions energy: -1031.592 where: short stacking energy: -482.369 Base-Backbone interact. energy: 4.424 local terms energy: -686.990868 where: bonds (distance) C4'-P energy: -182.389 bonds (distance) P-C4' energy: -156.340 flat angles C4'-P-C4' energy: -157.933 flat angles P-C4'-P energy: -100.510 tors. eta vs tors. theta energy: -89.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1289.493853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.493853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.493853 (E_RNA) where: Base-Base interactions energy: -676.219 where: short stacking energy: -320.905 Base-Backbone interact. energy: 1.574 local terms energy: -614.848632 where: bonds (distance) C4'-P energy: -151.539 bonds (distance) P-C4' energy: -166.312 flat angles C4'-P-C4' energy: -152.055 flat angles P-C4'-P energy: -112.050 tors. eta vs tors. theta energy: -32.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1230.103687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.103687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.103687 (E_RNA) where: Base-Base interactions energy: -672.069 where: short stacking energy: -326.600 Base-Backbone interact. energy: 0.313 local terms energy: -558.348059 where: bonds (distance) C4'-P energy: -163.415 bonds (distance) P-C4' energy: -159.595 flat angles C4'-P-C4' energy: -137.149 flat angles P-C4'-P energy: -73.122 tors. eta vs tors. theta energy: -25.066 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: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -883.829975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.829975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.829975 (E_RNA) where: Base-Base interactions energy: -392.917 where: short stacking energy: -218.576 Base-Backbone interact. energy: 0.840 local terms energy: -491.753430 where: bonds (distance) C4'-P energy: -157.008 bonds (distance) P-C4' energy: -156.814 flat angles C4'-P-C4' energy: -139.172 flat angles P-C4'-P energy: -64.898 tors. eta vs tors. theta energy: 26.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -751.888248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.888248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.888248 (E_RNA) where: Base-Base interactions energy: -287.674 where: short stacking energy: -208.171 Base-Backbone interact. energy: -2.641 local terms energy: -461.573058 where: bonds (distance) C4'-P energy: -151.088 bonds (distance) P-C4' energy: -144.942 flat angles C4'-P-C4' energy: -129.746 flat angles P-C4'-P energy: -80.237 tors. eta vs tors. theta energy: 44.439 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: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2971.687234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.687234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.687234 (E_RNA) where: Base-Base interactions energy: -2018.376 where: short stacking energy: -869.011 Base-Backbone interact. energy: -6.529 local terms energy: -946.782777 where: bonds (distance) C4'-P energy: -175.187 bonds (distance) P-C4' energy: -173.388 flat angles C4'-P-C4' energy: -203.624 flat angles P-C4'-P energy: -129.629 tors. eta vs tors. theta energy: -264.955 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: 6 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2767.816655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.816655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.816655 (E_RNA) where: Base-Base interactions energy: -1862.640 where: short stacking energy: -793.868 Base-Backbone interact. energy: -4.726 local terms energy: -900.450576 where: bonds (distance) C4'-P energy: -164.227 bonds (distance) P-C4' energy: -178.156 flat angles C4'-P-C4' energy: -198.971 flat angles P-C4'-P energy: -133.191 tors. eta vs tors. theta energy: -225.906 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: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2619.480883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.480883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.480883 (E_RNA) where: Base-Base interactions energy: -1727.307 where: short stacking energy: -741.619 Base-Backbone interact. energy: -4.365 local terms energy: -887.809035 where: bonds (distance) C4'-P energy: -154.525 bonds (distance) P-C4' energy: -193.306 flat angles C4'-P-C4' energy: -186.301 flat angles P-C4'-P energy: -134.889 tors. eta vs tors. theta energy: -218.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2372.704218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.704218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.704218 (E_RNA) where: Base-Base interactions energy: -1565.273 where: short stacking energy: -661.378 Base-Backbone interact. energy: -0.422 local terms energy: -807.009519 where: bonds (distance) C4'-P energy: -168.286 bonds (distance) P-C4' energy: -165.264 flat angles C4'-P-C4' energy: -182.361 flat angles P-C4'-P energy: -101.300 tors. eta vs tors. theta energy: -189.798 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: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2076.265022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.265022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.265022 (E_RNA) where: Base-Base interactions energy: -1328.816 where: short stacking energy: -583.315 Base-Backbone interact. energy: 0.589 local terms energy: -748.037618 where: bonds (distance) C4'-P energy: -163.088 bonds (distance) P-C4' energy: -181.159 flat angles C4'-P-C4' energy: -166.269 flat angles P-C4'-P energy: -114.021 tors. eta vs tors. theta energy: -123.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1724.114911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.114911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.114911 (E_RNA) where: Base-Base interactions energy: -1053.425 where: short stacking energy: -491.385 Base-Backbone interact. energy: -4.910 local terms energy: -665.779493 where: bonds (distance) C4'-P energy: -143.340 bonds (distance) P-C4' energy: -157.802 flat angles C4'-P-C4' energy: -158.839 flat angles P-C4'-P energy: -115.815 tors. eta vs tors. theta energy: -89.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1293.778535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.778535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.778535 (E_RNA) where: Base-Base interactions energy: -706.261 where: short stacking energy: -369.274 Base-Backbone interact. energy: -5.358 local terms energy: -582.158951 where: bonds (distance) C4'-P energy: -150.304 bonds (distance) P-C4' energy: -164.668 flat angles C4'-P-C4' energy: -152.690 flat angles P-C4'-P energy: -93.779 tors. eta vs tors. theta energy: -20.718 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: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1287.272237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.272237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.272237 (E_RNA) where: Base-Base interactions energy: -717.180 where: short stacking energy: -377.559 Base-Backbone interact. energy: 0.773 local terms energy: -570.865193 where: bonds (distance) C4'-P energy: -155.050 bonds (distance) P-C4' energy: -173.324 flat angles C4'-P-C4' energy: -130.133 flat angles P-C4'-P energy: -62.946 tors. eta vs tors. theta energy: -49.412 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: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -888.914552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.914552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.914552 (E_RNA) where: Base-Base interactions energy: -390.365 where: short stacking energy: -238.233 Base-Backbone interact. energy: 3.715 local terms energy: -502.263811 where: bonds (distance) C4'-P energy: -155.259 bonds (distance) P-C4' energy: -158.702 flat angles C4'-P-C4' energy: -123.293 flat angles P-C4'-P energy: -70.041 tors. eta vs tors. theta energy: 5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -763.388812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.388812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.388812 (E_RNA) where: Base-Base interactions energy: -243.138 where: short stacking energy: -172.726 Base-Backbone interact. energy: 0.765 local terms energy: -521.016250 where: bonds (distance) C4'-P energy: -162.241 bonds (distance) P-C4' energy: -160.956 flat angles C4'-P-C4' energy: -111.748 flat angles P-C4'-P energy: -88.560 tors. eta vs tors. theta energy: 2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2958.813107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.813107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.813107 (E_RNA) where: Base-Base interactions energy: -2014.600 where: short stacking energy: -848.571 Base-Backbone interact. energy: -6.070 local terms energy: -938.143406 where: bonds (distance) C4'-P energy: -172.382 bonds (distance) P-C4' energy: -169.375 flat angles C4'-P-C4' energy: -212.066 flat angles P-C4'-P energy: -123.046 tors. eta vs tors. theta energy: -261.275 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: 6 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2763.136191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.136191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.136191 (E_RNA) where: Base-Base interactions energy: -1831.199 where: short stacking energy: -776.471 Base-Backbone interact. energy: -2.348 local terms energy: -929.589274 where: bonds (distance) C4'-P energy: -164.156 bonds (distance) P-C4' energy: -190.028 flat angles C4'-P-C4' energy: -203.887 flat angles P-C4'-P energy: -134.249 tors. eta vs tors. theta energy: -237.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2594.164122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.164122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.164122 (E_RNA) where: Base-Base interactions energy: -1728.444 where: short stacking energy: -763.798 Base-Backbone interact. energy: -0.004 local terms energy: -865.716152 where: bonds (distance) C4'-P energy: -164.312 bonds (distance) P-C4' energy: -176.218 flat angles C4'-P-C4' energy: -197.161 flat angles P-C4'-P energy: -108.980 tors. eta vs tors. theta energy: -219.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2411.030528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.030528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.030528 (E_RNA) where: Base-Base interactions energy: -1591.044 where: short stacking energy: -668.067 Base-Backbone interact. energy: 2.705 local terms energy: -822.691686 where: bonds (distance) C4'-P energy: -162.963 bonds (distance) P-C4' energy: -176.133 flat angles C4'-P-C4' energy: -167.391 flat angles P-C4'-P energy: -124.827 tors. eta vs tors. theta energy: -191.377 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: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2137.280887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.280887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.280887 (E_RNA) where: Base-Base interactions energy: -1391.800 where: short stacking energy: -596.306 Base-Backbone interact. energy: -1.467 local terms energy: -744.014081 where: bonds (distance) C4'-P energy: -149.902 bonds (distance) P-C4' energy: -170.208 flat angles C4'-P-C4' energy: -167.728 flat angles P-C4'-P energy: -103.944 tors. eta vs tors. theta energy: -152.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1766.243034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.243034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.243034 (E_RNA) where: Base-Base interactions energy: -1057.521 where: short stacking energy: -483.760 Base-Backbone interact. energy: 0.764 local terms energy: -709.485778 where: bonds (distance) C4'-P energy: -143.524 bonds (distance) P-C4' energy: -177.352 flat angles C4'-P-C4' energy: -171.411 flat angles P-C4'-P energy: -104.233 tors. eta vs tors. theta energy: -112.965 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: 119 Temperature: 1.200000 Total energy: -1297.953054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.953054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.953054 (E_RNA) where: Base-Base interactions energy: -716.611 where: short stacking energy: -386.038 Base-Backbone interact. energy: -3.328 local terms energy: -578.013907 where: bonds (distance) C4'-P energy: -137.596 bonds (distance) P-C4' energy: -151.043 flat angles C4'-P-C4' energy: -146.054 flat angles P-C4'-P energy: -92.512 tors. eta vs tors. theta energy: -50.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1293.155293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.155293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.155293 (E_RNA) where: Base-Base interactions energy: -718.658 where: short stacking energy: -371.952 Base-Backbone interact. energy: 3.300 local terms energy: -577.797245 where: bonds (distance) C4'-P energy: -151.656 bonds (distance) P-C4' energy: -139.808 flat angles C4'-P-C4' energy: -168.361 flat angles P-C4'-P energy: -78.695 tors. eta vs tors. theta energy: -39.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -830.625596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.625596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.625596 (E_RNA) where: Base-Base interactions energy: -358.574 where: short stacking energy: -223.253 Base-Backbone interact. energy: 0.977 local terms energy: -473.028747 where: bonds (distance) C4'-P energy: -142.071 bonds (distance) P-C4' energy: -151.391 flat angles C4'-P-C4' energy: -105.570 flat angles P-C4'-P energy: -80.760 tors. eta vs tors. theta energy: 6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -741.315155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.315155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.315155 (E_RNA) where: Base-Base interactions energy: -318.858 where: short stacking energy: -208.330 Base-Backbone interact. energy: 1.293 local terms energy: -423.750822 where: bonds (distance) C4'-P energy: -137.874 bonds (distance) P-C4' energy: -150.491 flat angles C4'-P-C4' energy: -141.858 flat angles P-C4'-P energy: -27.562 tors. eta vs tors. theta energy: 34.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2944.883838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.883838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.883838 (E_RNA) where: Base-Base interactions energy: -2024.093 where: short stacking energy: -833.419 Base-Backbone interact. energy: -0.451 local terms energy: -920.339747 where: bonds (distance) C4'-P energy: -180.736 bonds (distance) P-C4' energy: -165.704 flat angles C4'-P-C4' energy: -186.634 flat angles P-C4'-P energy: -140.652 tors. eta vs tors. theta energy: -246.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2758.475691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.475691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.475691 (E_RNA) where: Base-Base interactions energy: -1831.003 where: short stacking energy: -790.186 Base-Backbone interact. energy: 0.750 local terms energy: -928.221845 where: bonds (distance) C4'-P energy: -183.901 bonds (distance) P-C4' energy: -162.711 flat angles C4'-P-C4' energy: -201.132 flat angles P-C4'-P energy: -150.214 tors. eta vs tors. theta energy: -230.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2544.406985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.406985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.406985 (E_RNA) where: Base-Base interactions energy: -1676.644 where: short stacking energy: -739.865 Base-Backbone interact. energy: 1.365 local terms energy: -869.127926 where: bonds (distance) C4'-P energy: -170.372 bonds (distance) P-C4' energy: -175.503 flat angles C4'-P-C4' energy: -191.664 flat angles P-C4'-P energy: -115.174 tors. eta vs tors. theta energy: -216.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2424.316821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.316821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.316821 (E_RNA) where: Base-Base interactions energy: -1595.025 where: short stacking energy: -706.660 Base-Backbone interact. energy: -0.594 local terms energy: -828.697225 where: bonds (distance) C4'-P energy: -148.517 bonds (distance) P-C4' energy: -169.474 flat angles C4'-P-C4' energy: -186.118 flat angles P-C4'-P energy: -126.349 tors. eta vs tors. theta energy: -198.240 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: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2156.855200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.855200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.855200 (E_RNA) where: Base-Base interactions energy: -1405.698 where: short stacking energy: -589.063 Base-Backbone interact. energy: -4.589 local terms energy: -746.568463 where: bonds (distance) C4'-P energy: -144.082 bonds (distance) P-C4' energy: -177.204 flat angles C4'-P-C4' energy: -181.900 flat angles P-C4'-P energy: -99.710 tors. eta vs tors. theta energy: -143.673 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: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1713.764558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.764558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.764558 (E_RNA) where: Base-Base interactions energy: -1025.358 where: short stacking energy: -468.555 Base-Backbone interact. energy: 1.546 local terms energy: -689.952394 where: bonds (distance) C4'-P energy: -154.024 bonds (distance) P-C4' energy: -148.202 flat angles C4'-P-C4' energy: -174.710 flat angles P-C4'-P energy: -109.808 tors. eta vs tors. theta energy: -103.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1378.045433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.045433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.045433 (E_RNA) where: Base-Base interactions energy: -808.427 where: short stacking energy: -411.141 Base-Backbone interact. energy: -2.785 local terms energy: -566.833125 where: bonds (distance) C4'-P energy: -137.415 bonds (distance) P-C4' energy: -161.511 flat angles C4'-P-C4' energy: -142.470 flat angles P-C4'-P energy: -89.245 tors. eta vs tors. theta energy: -36.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1193.179544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.179544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.179544 (E_RNA) where: Base-Base interactions energy: -648.204 where: short stacking energy: -335.026 Base-Backbone interact. energy: -0.909 local terms energy: -544.066885 where: bonds (distance) C4'-P energy: -139.379 bonds (distance) P-C4' energy: -155.045 flat angles C4'-P-C4' energy: -123.206 flat angles P-C4'-P energy: -94.988 tors. eta vs tors. theta energy: -31.449 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: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -883.455932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.455932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.455932 (E_RNA) where: Base-Base interactions energy: -388.133 where: short stacking energy: -225.169 Base-Backbone interact. energy: -0.956 local terms energy: -494.367437 where: bonds (distance) C4'-P energy: -131.603 bonds (distance) P-C4' energy: -162.193 flat angles C4'-P-C4' energy: -113.903 flat angles P-C4'-P energy: -99.983 tors. eta vs tors. theta energy: 13.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -748.939129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.939129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.939129 (E_RNA) where: Base-Base interactions energy: -321.093 where: short stacking energy: -213.420 Base-Backbone interact. energy: 1.103 local terms energy: -428.949361 where: bonds (distance) C4'-P energy: -145.585 bonds (distance) P-C4' energy: -131.227 flat angles C4'-P-C4' energy: -130.568 flat angles P-C4'-P energy: -58.424 tors. eta vs tors. theta energy: 36.855 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: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2951.583007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.583007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.583007 (E_RNA) where: Base-Base interactions energy: -1982.773 where: short stacking energy: -845.992 Base-Backbone interact. energy: -3.418 local terms energy: -965.391510 where: bonds (distance) C4'-P energy: -184.910 bonds (distance) P-C4' energy: -169.989 flat angles C4'-P-C4' energy: -209.953 flat angles P-C4'-P energy: -141.081 tors. eta vs tors. theta energy: -259.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2728.191158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.191158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.191158 (E_RNA) where: Base-Base interactions energy: -1822.892 where: short stacking energy: -785.467 Base-Backbone interact. energy: -1.521 local terms energy: -903.778369 where: bonds (distance) C4'-P energy: -167.921 bonds (distance) P-C4' energy: -186.432 flat angles C4'-P-C4' energy: -197.356 flat angles P-C4'-P energy: -117.392 tors. eta vs tors. theta energy: -234.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2548.110922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.110922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.110922 (E_RNA) where: Base-Base interactions energy: -1670.101 where: short stacking energy: -737.949 Base-Backbone interact. energy: -3.719 local terms energy: -874.291495 where: bonds (distance) C4'-P energy: -169.873 bonds (distance) P-C4' energy: -190.641 flat angles C4'-P-C4' energy: -198.200 flat angles P-C4'-P energy: -116.685 tors. eta vs tors. theta energy: -198.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2439.851167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.851167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.851167 (E_RNA) where: Base-Base interactions energy: -1604.390 where: short stacking energy: -684.516 Base-Backbone interact. energy: -3.092 local terms energy: -832.369145 where: bonds (distance) C4'-P energy: -156.535 bonds (distance) P-C4' energy: -190.177 flat angles C4'-P-C4' energy: -171.038 flat angles P-C4'-P energy: -120.709 tors. eta vs tors. theta energy: -193.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2139.921428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.921428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.921428 (E_RNA) where: Base-Base interactions energy: -1381.257 where: short stacking energy: -599.504 Base-Backbone interact. energy: -3.393 local terms energy: -755.271684 where: bonds (distance) C4'-P energy: -149.772 bonds (distance) P-C4' energy: -168.608 flat angles C4'-P-C4' energy: -167.294 flat angles P-C4'-P energy: -109.257 tors. eta vs tors. theta energy: -160.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1691.207337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.207337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.207337 (E_RNA) where: Base-Base interactions energy: -1032.439 where: short stacking energy: -458.176 Base-Backbone interact. energy: 3.546 local terms energy: -662.313801 where: bonds (distance) C4'-P energy: -151.643 bonds (distance) P-C4' energy: -148.600 flat angles C4'-P-C4' energy: -148.890 flat angles P-C4'-P energy: -107.551 tors. eta vs tors. theta energy: -105.630 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: 7, replica: 1 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1392.718345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.718345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.718345 (E_RNA) where: Base-Base interactions energy: -783.397 where: short stacking energy: -420.283 Base-Backbone interact. energy: -0.529 local terms energy: -608.792189 where: bonds (distance) C4'-P energy: -143.365 bonds (distance) P-C4' energy: -169.162 flat angles C4'-P-C4' energy: -147.419 flat angles P-C4'-P energy: -86.572 tors. eta vs tors. theta energy: -62.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1161.586269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.586269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.586269 (E_RNA) where: Base-Base interactions energy: -614.763 where: short stacking energy: -294.261 Base-Backbone interact. energy: 2.411 local terms energy: -549.233633 where: bonds (distance) C4'-P energy: -142.229 bonds (distance) P-C4' energy: -165.135 flat angles C4'-P-C4' energy: -153.114 flat angles P-C4'-P energy: -58.697 tors. eta vs tors. theta energy: -30.059 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: 9, replica: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -836.670868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.670868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.670868 (E_RNA) where: Base-Base interactions energy: -387.996 where: short stacking energy: -251.994 Base-Backbone interact. energy: 3.240 local terms energy: -451.915219 where: bonds (distance) C4'-P energy: -148.814 bonds (distance) P-C4' energy: -143.835 flat angles C4'-P-C4' energy: -118.486 flat angles P-C4'-P energy: -60.456 tors. eta vs tors. theta energy: 19.676 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: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -761.366230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.366230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.366230 (E_RNA) where: Base-Base interactions energy: -310.152 where: short stacking energy: -200.850 Base-Backbone interact. energy: -3.174 local terms energy: -448.040321 where: bonds (distance) C4'-P energy: -137.022 bonds (distance) P-C4' energy: -159.037 flat angles C4'-P-C4' energy: -93.356 flat angles P-C4'-P energy: -95.087 tors. eta vs tors. theta energy: 36.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2951.369003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.369003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.369003 (E_RNA) where: Base-Base interactions energy: -2003.175 where: short stacking energy: -862.805 Base-Backbone interact. energy: -2.822 local terms energy: -945.372279 where: bonds (distance) C4'-P energy: -165.330 bonds (distance) P-C4' energy: -185.841 flat angles C4'-P-C4' energy: -197.921 flat angles P-C4'-P energy: -138.476 tors. eta vs tors. theta energy: -257.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2748.043604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.043604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.043604 (E_RNA) where: Base-Base interactions energy: -1828.030 where: short stacking energy: -780.245 Base-Backbone interact. energy: -6.763 local terms energy: -913.251227 where: bonds (distance) C4'-P energy: -187.915 bonds (distance) P-C4' energy: -178.577 flat angles C4'-P-C4' energy: -197.085 flat angles P-C4'-P energy: -117.579 tors. eta vs tors. theta energy: -232.094 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: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2601.384818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.384818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.384818 (E_RNA) where: Base-Base interactions energy: -1745.256 where: short stacking energy: -760.626 Base-Backbone interact. energy: 3.576 local terms energy: -859.704930 where: bonds (distance) C4'-P energy: -170.246 bonds (distance) P-C4' energy: -165.566 flat angles C4'-P-C4' energy: -185.017 flat angles P-C4'-P energy: -122.205 tors. eta vs tors. theta energy: -216.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2419.753301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.753301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.753301 (E_RNA) where: Base-Base interactions energy: -1579.877 where: short stacking energy: -697.456 Base-Backbone interact. energy: -4.138 local terms energy: -835.739215 where: bonds (distance) C4'-P energy: -148.006 bonds (distance) P-C4' energy: -166.936 flat angles C4'-P-C4' energy: -204.690 flat angles P-C4'-P energy: -119.327 tors. eta vs tors. theta energy: -196.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2112.797561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.797561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.797561 (E_RNA) where: Base-Base interactions energy: -1357.125 where: short stacking energy: -582.754 Base-Backbone interact. energy: -2.223 local terms energy: -753.450155 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -165.629 flat angles C4'-P-C4' energy: -182.948 flat angles P-C4'-P energy: -106.171 tors. eta vs tors. theta energy: -154.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1758.631512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.631512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.631512 (E_RNA) where: Base-Base interactions energy: -1081.014 where: short stacking energy: -491.416 Base-Backbone interact. energy: -0.010 local terms energy: -677.607328 where: bonds (distance) C4'-P energy: -146.283 bonds (distance) P-C4' energy: -163.498 flat angles C4'-P-C4' energy: -169.561 flat angles P-C4'-P energy: -93.919 tors. eta vs tors. theta energy: -104.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1416.328794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.328794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.328794 (E_RNA) where: Base-Base interactions energy: -804.582 where: short stacking energy: -415.363 Base-Backbone interact. energy: -2.405 local terms energy: -609.341189 where: bonds (distance) C4'-P energy: -142.064 bonds (distance) P-C4' energy: -162.272 flat angles C4'-P-C4' energy: -160.397 flat angles P-C4'-P energy: -75.803 tors. eta vs tors. theta energy: -68.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1177.443378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.443378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.443378 (E_RNA) where: Base-Base interactions energy: -631.710 where: short stacking energy: -316.341 Base-Backbone interact. energy: 0.677 local terms energy: -546.410397 where: bonds (distance) C4'-P energy: -131.640 bonds (distance) P-C4' energy: -158.620 flat angles C4'-P-C4' energy: -149.918 flat angles P-C4'-P energy: -86.103 tors. eta vs tors. theta energy: -20.130 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: 8 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -781.933200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.933200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.933200 (E_RNA) where: Base-Base interactions energy: -331.363 where: short stacking energy: -228.096 Base-Backbone interact. energy: 0.606 local terms energy: -451.176197 where: bonds (distance) C4'-P energy: -128.250 bonds (distance) P-C4' energy: -154.342 flat angles C4'-P-C4' energy: -139.717 flat angles P-C4'-P energy: -65.055 tors. eta vs tors. theta energy: 36.188 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: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -796.583803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.583803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.583803 (E_RNA) where: Base-Base interactions energy: -338.584 where: short stacking energy: -186.540 Base-Backbone interact. energy: 7.581 local terms energy: -465.580656 where: bonds (distance) C4'-P energy: -151.831 bonds (distance) P-C4' energy: -156.038 flat angles C4'-P-C4' energy: -110.283 flat angles P-C4'-P energy: -76.155 tors. eta vs tors. theta energy: 28.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2961.731861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.731861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.731861 (E_RNA) where: Base-Base interactions energy: -1997.057 where: short stacking energy: -867.696 Base-Backbone interact. energy: -2.802 local terms energy: -961.873241 where: bonds (distance) C4'-P energy: -191.930 bonds (distance) P-C4' energy: -183.466 flat angles C4'-P-C4' energy: -199.707 flat angles P-C4'-P energy: -145.730 tors. eta vs tors. theta energy: -241.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2689.146019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.146019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.146019 (E_RNA) where: Base-Base interactions energy: -1794.907 where: short stacking energy: -743.480 Base-Backbone interact. energy: -1.071 local terms energy: -893.167982 where: bonds (distance) C4'-P energy: -172.675 bonds (distance) P-C4' energy: -173.039 flat angles C4'-P-C4' energy: -192.016 flat angles P-C4'-P energy: -128.015 tors. eta vs tors. theta energy: -227.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2614.093053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.093053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.093053 (E_RNA) where: Base-Base interactions energy: -1718.592 where: short stacking energy: -744.963 Base-Backbone interact. energy: -2.753 local terms energy: -892.748559 where: bonds (distance) C4'-P energy: -162.367 bonds (distance) P-C4' energy: -181.459 flat angles C4'-P-C4' energy: -210.158 flat angles P-C4'-P energy: -119.087 tors. eta vs tors. theta energy: -219.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2502.391764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.391764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.391764 (E_RNA) where: Base-Base interactions energy: -1667.123 where: short stacking energy: -717.289 Base-Backbone interact. energy: -2.284 local terms energy: -832.985016 where: bonds (distance) C4'-P energy: -157.520 bonds (distance) P-C4' energy: -166.907 flat angles C4'-P-C4' energy: -188.023 flat angles P-C4'-P energy: -116.572 tors. eta vs tors. theta energy: -203.963 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: 123 Temperature: 1.100000 Total energy: -2101.411449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.411449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.411449 (E_RNA) where: Base-Base interactions energy: -1347.480 where: short stacking energy: -591.035 Base-Backbone interact. energy: -4.276 local terms energy: -749.655466 where: bonds (distance) C4'-P energy: -134.179 bonds (distance) P-C4' energy: -158.632 flat angles C4'-P-C4' energy: -185.167 flat angles P-C4'-P energy: -115.408 tors. eta vs tors. theta energy: -156.270 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: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1730.008223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.008223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.008223 (E_RNA) where: Base-Base interactions energy: -1041.088 where: short stacking energy: -502.674 Base-Backbone interact. energy: -1.319 local terms energy: -687.600542 where: bonds (distance) C4'-P energy: -173.154 bonds (distance) P-C4' energy: -146.372 flat angles C4'-P-C4' energy: -170.156 flat angles P-C4'-P energy: -114.664 tors. eta vs tors. theta energy: -83.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1436.326758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.326758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.326758 (E_RNA) where: Base-Base interactions energy: -802.931 where: short stacking energy: -387.338 Base-Backbone interact. energy: -3.207 local terms energy: -630.189175 where: bonds (distance) C4'-P energy: -149.707 bonds (distance) P-C4' energy: -156.261 flat angles C4'-P-C4' energy: -162.402 flat angles P-C4'-P energy: -97.563 tors. eta vs tors. theta energy: -64.257 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: 123 Temperature: 1.250000 Total energy: -1214.169436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.169436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.169436 (E_RNA) where: Base-Base interactions energy: -681.742 where: short stacking energy: -346.550 Base-Backbone interact. energy: 1.630 local terms energy: -534.057535 where: bonds (distance) C4'-P energy: -146.854 bonds (distance) P-C4' energy: -160.123 flat angles C4'-P-C4' energy: -132.746 flat angles P-C4'-P energy: -64.759 tors. eta vs tors. theta energy: -29.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -829.176979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.176979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.176979 (E_RNA) where: Base-Base interactions energy: -342.844 where: short stacking energy: -238.391 Base-Backbone interact. energy: 4.457 local terms energy: -490.790151 where: bonds (distance) C4'-P energy: -117.156 bonds (distance) P-C4' energy: -167.612 flat angles C4'-P-C4' energy: -161.096 flat angles P-C4'-P energy: -60.358 tors. eta vs tors. theta energy: 15.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -856.131657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.131657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.131657 (E_RNA) where: Base-Base interactions energy: -370.881 where: short stacking energy: -201.938 Base-Backbone interact. energy: -3.331 local terms energy: -481.919909 where: bonds (distance) C4'-P energy: -153.314 bonds (distance) P-C4' energy: -159.682 flat angles C4'-P-C4' energy: -104.364 flat angles P-C4'-P energy: -69.324 tors. eta vs tors. theta energy: 4.763 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: 9 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2947.639679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.639679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.639679 (E_RNA) where: Base-Base interactions energy: -2007.981 where: short stacking energy: -867.637 Base-Backbone interact. energy: 1.143 local terms energy: -940.801771 where: bonds (distance) C4'-P energy: -163.114 bonds (distance) P-C4' energy: -191.206 flat angles C4'-P-C4' energy: -199.189 flat angles P-C4'-P energy: -121.435 tors. eta vs tors. theta energy: -265.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2717.699424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.699424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.699424 (E_RNA) where: Base-Base interactions energy: -1845.170 where: short stacking energy: -773.038 Base-Backbone interact. energy: 0.901 local terms energy: -873.430809 where: bonds (distance) C4'-P energy: -167.419 bonds (distance) P-C4' energy: -172.591 flat angles C4'-P-C4' energy: -186.747 flat angles P-C4'-P energy: -116.947 tors. eta vs tors. theta energy: -229.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2635.266249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.266249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.266249 (E_RNA) where: Base-Base interactions energy: -1730.364 where: short stacking energy: -759.300 Base-Backbone interact. energy: -2.709 local terms energy: -902.192841 where: bonds (distance) C4'-P energy: -160.284 bonds (distance) P-C4' energy: -181.351 flat angles C4'-P-C4' energy: -189.094 flat angles P-C4'-P energy: -137.003 tors. eta vs tors. theta energy: -234.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2434.618054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.618054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.618054 (E_RNA) where: Base-Base interactions energy: -1628.661 where: short stacking energy: -696.236 Base-Backbone interact. energy: 4.301 local terms energy: -810.258136 where: bonds (distance) C4'-P energy: -162.257 bonds (distance) P-C4' energy: -170.141 flat angles C4'-P-C4' energy: -181.572 flat angles P-C4'-P energy: -107.231 tors. eta vs tors. theta energy: -189.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2145.206509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.206509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.206509 (E_RNA) where: Base-Base interactions energy: -1369.898 where: short stacking energy: -574.450 Base-Backbone interact. energy: -1.842 local terms energy: -773.466639 where: bonds (distance) C4'-P energy: -181.893 bonds (distance) P-C4' energy: -146.221 flat angles C4'-P-C4' energy: -184.826 flat angles P-C4'-P energy: -119.164 tors. eta vs tors. theta energy: -141.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1707.789490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.789490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.789490 (E_RNA) where: Base-Base interactions energy: -1006.339 where: short stacking energy: -501.971 Base-Backbone interact. energy: -2.410 local terms energy: -699.040875 where: bonds (distance) C4'-P energy: -169.994 bonds (distance) P-C4' energy: -154.891 flat angles C4'-P-C4' energy: -159.694 flat angles P-C4'-P energy: -102.223 tors. eta vs tors. theta energy: -112.239 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: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1466.438326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.438326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.438326 (E_RNA) where: Base-Base interactions energy: -814.784 where: short stacking energy: -380.114 Base-Backbone interact. energy: -0.202 local terms energy: -651.452185 where: bonds (distance) C4'-P energy: -158.836 bonds (distance) P-C4' energy: -167.753 flat angles C4'-P-C4' energy: -151.103 flat angles P-C4'-P energy: -100.607 tors. eta vs tors. theta energy: -73.154 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: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1158.281186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.281186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.281186 (E_RNA) where: Base-Base interactions energy: -615.395 where: short stacking energy: -323.093 Base-Backbone interact. energy: 0.762 local terms energy: -543.648558 where: bonds (distance) C4'-P energy: -134.530 bonds (distance) P-C4' energy: -152.292 flat angles C4'-P-C4' energy: -129.400 flat angles P-C4'-P energy: -91.922 tors. eta vs tors. theta energy: -35.505 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: 124 Temperature: 1.300000 Total energy: -980.609134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.609134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.609134 (E_RNA) where: Base-Base interactions energy: -484.240 where: short stacking energy: -279.062 Base-Backbone interact. energy: 4.051 local terms energy: -500.420580 where: bonds (distance) C4'-P energy: -150.963 bonds (distance) P-C4' energy: -125.474 flat angles C4'-P-C4' energy: -122.248 flat angles P-C4'-P energy: -93.631 tors. eta vs tors. theta energy: -8.104 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: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -754.399802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.399802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.399802 (E_RNA) where: Base-Base interactions energy: -304.038 where: short stacking energy: -208.237 Base-Backbone interact. energy: 1.872 local terms energy: -452.234269 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -169.253 flat angles C4'-P-C4' energy: -104.355 flat angles P-C4'-P energy: -67.439 tors. eta vs tors. theta energy: 32.830 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: 9 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2936.143116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.143116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.143116 (E_RNA) where: Base-Base interactions energy: -1965.540 where: short stacking energy: -858.946 Base-Backbone interact. energy: -4.531 local terms energy: -966.071659 where: bonds (distance) C4'-P energy: -187.293 bonds (distance) P-C4' energy: -192.829 flat angles C4'-P-C4' energy: -213.422 flat angles P-C4'-P energy: -127.173 tors. eta vs tors. theta energy: -245.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2717.469056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.469056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.469056 (E_RNA) where: Base-Base interactions energy: -1818.196 where: short stacking energy: -745.034 Base-Backbone interact. energy: -7.248 local terms energy: -892.024533 where: bonds (distance) C4'-P energy: -187.524 bonds (distance) P-C4' energy: -165.569 flat angles C4'-P-C4' energy: -186.599 flat angles P-C4'-P energy: -132.202 tors. eta vs tors. theta energy: -220.131 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: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2631.529053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.529053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.529053 (E_RNA) where: Base-Base interactions energy: -1729.499 where: short stacking energy: -728.686 Base-Backbone interact. energy: -3.883 local terms energy: -898.146992 where: bonds (distance) C4'-P energy: -178.291 bonds (distance) P-C4' energy: -171.931 flat angles C4'-P-C4' energy: -201.233 flat angles P-C4'-P energy: -125.052 tors. eta vs tors. theta energy: -221.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2480.570735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.570735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.570735 (E_RNA) where: Base-Base interactions energy: -1618.545 where: short stacking energy: -706.245 Base-Backbone interact. energy: -2.815 local terms energy: -859.210890 where: bonds (distance) C4'-P energy: -154.734 bonds (distance) P-C4' energy: -186.021 flat angles C4'-P-C4' energy: -192.496 flat angles P-C4'-P energy: -122.794 tors. eta vs tors. theta energy: -203.165 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: 125 Temperature: 1.100000 Total energy: -2198.639635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.639635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.639635 (E_RNA) where: Base-Base interactions energy: -1420.119 where: short stacking energy: -628.993 Base-Backbone interact. energy: 2.556 local terms energy: -781.075907 where: bonds (distance) C4'-P energy: -158.333 bonds (distance) P-C4' energy: -173.644 flat angles C4'-P-C4' energy: -178.276 flat angles P-C4'-P energy: -95.161 tors. eta vs tors. theta energy: -175.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1721.681603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.681603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.681603 (E_RNA) where: Base-Base interactions energy: -1013.846 where: short stacking energy: -469.925 Base-Backbone interact. energy: -1.521 local terms energy: -706.314811 where: bonds (distance) C4'-P energy: -167.984 bonds (distance) P-C4' energy: -159.866 flat angles C4'-P-C4' energy: -179.324 flat angles P-C4'-P energy: -108.986 tors. eta vs tors. theta energy: -90.155 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: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1400.795034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.795034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.795034 (E_RNA) where: Base-Base interactions energy: -816.017 where: short stacking energy: -377.028 Base-Backbone interact. energy: -3.846 local terms energy: -580.931272 where: bonds (distance) C4'-P energy: -140.675 bonds (distance) P-C4' energy: -167.330 flat angles C4'-P-C4' energy: -147.913 flat angles P-C4'-P energy: -83.366 tors. eta vs tors. theta energy: -41.647 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: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1126.077770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.077770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.077770 (E_RNA) where: Base-Base interactions energy: -581.010 where: short stacking energy: -297.830 Base-Backbone interact. energy: -3.414 local terms energy: -541.653103 where: bonds (distance) C4'-P energy: -135.473 bonds (distance) P-C4' energy: -179.594 flat angles C4'-P-C4' energy: -144.869 flat angles P-C4'-P energy: -70.452 tors. eta vs tors. theta energy: -11.264 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: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -945.023296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.023296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.023296 (E_RNA) where: Base-Base interactions energy: -449.697 where: short stacking energy: -261.276 Base-Backbone interact. energy: -1.551 local terms energy: -493.775692 where: bonds (distance) C4'-P energy: -143.721 bonds (distance) P-C4' energy: -163.773 flat angles C4'-P-C4' energy: -120.913 flat angles P-C4'-P energy: -75.267 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: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -732.626141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.626141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.626141 (E_RNA) where: Base-Base interactions energy: -293.985 where: short stacking energy: -198.536 Base-Backbone interact. energy: 10.840 local terms energy: -449.480865 where: bonds (distance) C4'-P energy: -140.054 bonds (distance) P-C4' energy: -145.365 flat angles C4'-P-C4' energy: -128.799 flat angles P-C4'-P energy: -76.843 tors. eta vs tors. theta energy: 41.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2918.662130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.662130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.662130 (E_RNA) where: Base-Base interactions energy: -1965.047 where: short stacking energy: -833.933 Base-Backbone interact. energy: -2.679 local terms energy: -950.936273 where: bonds (distance) C4'-P energy: -165.290 bonds (distance) P-C4' energy: -190.442 flat angles C4'-P-C4' energy: -209.730 flat angles P-C4'-P energy: -131.543 tors. eta vs tors. theta energy: -253.930 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: 2, replica: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2775.891017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.891017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.891017 (E_RNA) where: Base-Base interactions energy: -1866.918 where: short stacking energy: -799.851 Base-Backbone interact. energy: -9.016 local terms energy: -899.956953 where: bonds (distance) C4'-P energy: -194.857 bonds (distance) P-C4' energy: -169.485 flat angles C4'-P-C4' energy: -190.015 flat angles P-C4'-P energy: -121.153 tors. eta vs tors. theta energy: -224.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2645.865584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.865584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.865584 (E_RNA) where: Base-Base interactions energy: -1738.982 where: short stacking energy: -798.237 Base-Backbone interact. energy: -2.067 local terms energy: -904.816799 where: bonds (distance) C4'-P energy: -176.960 bonds (distance) P-C4' energy: -167.284 flat angles C4'-P-C4' energy: -192.095 flat angles P-C4'-P energy: -121.052 tors. eta vs tors. theta energy: -247.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2482.442039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.442039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.442039 (E_RNA) where: Base-Base interactions energy: -1639.046 where: short stacking energy: -695.365 Base-Backbone interact. energy: -1.188 local terms energy: -842.208164 where: bonds (distance) C4'-P energy: -166.462 bonds (distance) P-C4' energy: -165.390 flat angles C4'-P-C4' energy: -178.192 flat angles P-C4'-P energy: -117.259 tors. eta vs tors. theta energy: -214.905 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: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2141.040454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.040454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.040454 (E_RNA) where: Base-Base interactions energy: -1377.992 where: short stacking energy: -616.331 Base-Backbone interact. energy: -4.197 local terms energy: -758.852350 where: bonds (distance) C4'-P energy: -149.463 bonds (distance) P-C4' energy: -169.051 flat angles C4'-P-C4' energy: -178.575 flat angles P-C4'-P energy: -99.678 tors. eta vs tors. theta energy: -162.085 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: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1703.212263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.212263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.212263 (E_RNA) where: Base-Base interactions energy: -1042.964 where: short stacking energy: -473.420 Base-Backbone interact. energy: -2.401 local terms energy: -657.847463 where: bonds (distance) C4'-P energy: -152.119 bonds (distance) P-C4' energy: -144.873 flat angles C4'-P-C4' energy: -154.888 flat angles P-C4'-P energy: -113.450 tors. eta vs tors. theta energy: -92.518 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: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1413.902701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.902701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.902701 (E_RNA) where: Base-Base interactions energy: -802.749 where: short stacking energy: -355.305 Base-Backbone interact. energy: -0.276 local terms energy: -610.877986 where: bonds (distance) C4'-P energy: -153.098 bonds (distance) P-C4' energy: -183.406 flat angles C4'-P-C4' energy: -139.126 flat angles P-C4'-P energy: -72.583 tors. eta vs tors. theta energy: -62.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1102.355481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.355481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.355481 (E_RNA) where: Base-Base interactions energy: -557.195 where: short stacking energy: -297.081 Base-Backbone interact. energy: 5.071 local terms energy: -550.232333 where: bonds (distance) C4'-P energy: -147.528 bonds (distance) P-C4' energy: -173.759 flat angles C4'-P-C4' energy: -133.889 flat angles P-C4'-P energy: -81.695 tors. eta vs tors. theta energy: -13.361 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: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -991.578011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.578011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.578011 (E_RNA) where: Base-Base interactions energy: -541.147 where: short stacking energy: -269.084 Base-Backbone interact. energy: 1.740 local terms energy: -452.170946 where: bonds (distance) C4'-P energy: -148.901 bonds (distance) P-C4' energy: -155.630 flat angles C4'-P-C4' energy: -112.042 flat angles P-C4'-P energy: -70.068 tors. eta vs tors. theta energy: 34.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -766.200408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.200408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.200408 (E_RNA) where: Base-Base interactions energy: -306.025 where: short stacking energy: -193.988 Base-Backbone interact. energy: 5.431 local terms energy: -465.607009 where: bonds (distance) C4'-P energy: -154.837 bonds (distance) P-C4' energy: -163.486 flat angles C4'-P-C4' energy: -101.840 flat angles P-C4'-P energy: -66.666 tors. eta vs tors. theta energy: 21.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2915.529934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.529934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.529934 (E_RNA) where: Base-Base interactions energy: -1962.223 where: short stacking energy: -846.061 Base-Backbone interact. energy: -2.206 local terms energy: -951.100411 where: bonds (distance) C4'-P energy: -182.504 bonds (distance) P-C4' energy: -181.422 flat angles C4'-P-C4' energy: -214.059 flat angles P-C4'-P energy: -125.062 tors. eta vs tors. theta energy: -248.054 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: 2, replica: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2758.271593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.271593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.271593 (E_RNA) where: Base-Base interactions energy: -1882.042 where: short stacking energy: -777.484 Base-Backbone interact. energy: -2.444 local terms energy: -873.785722 where: bonds (distance) C4'-P energy: -171.475 bonds (distance) P-C4' energy: -169.453 flat angles C4'-P-C4' energy: -187.958 flat angles P-C4'-P energy: -120.023 tors. eta vs tors. theta energy: -224.877 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: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2633.122000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.122000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.122000 (E_RNA) where: Base-Base interactions energy: -1747.850 where: short stacking energy: -784.462 Base-Backbone interact. energy: -1.062 local terms energy: -884.209767 where: bonds (distance) C4'-P energy: -179.333 bonds (distance) P-C4' energy: -184.739 flat angles C4'-P-C4' energy: -187.253 flat angles P-C4'-P energy: -109.869 tors. eta vs tors. theta energy: -223.016 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: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2466.261781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.261781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.261781 (E_RNA) where: Base-Base interactions energy: -1648.211 where: short stacking energy: -705.489 Base-Backbone interact. energy: -3.232 local terms energy: -814.818779 where: bonds (distance) C4'-P energy: -152.506 bonds (distance) P-C4' energy: -165.076 flat angles C4'-P-C4' energy: -185.518 flat angles P-C4'-P energy: -129.700 tors. eta vs tors. theta energy: -182.019 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: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2176.526901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.526901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.526901 (E_RNA) where: Base-Base interactions energy: -1396.542 where: short stacking energy: -602.740 Base-Backbone interact. energy: -4.636 local terms energy: -775.349665 where: bonds (distance) C4'-P energy: -144.550 bonds (distance) P-C4' energy: -161.188 flat angles C4'-P-C4' energy: -186.243 flat angles P-C4'-P energy: -109.049 tors. eta vs tors. theta energy: -174.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1719.118645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.118645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.118645 (E_RNA) where: Base-Base interactions energy: -1068.053 where: short stacking energy: -511.210 Base-Backbone interact. energy: -0.019 local terms energy: -651.046892 where: bonds (distance) C4'-P energy: -154.650 bonds (distance) P-C4' energy: -171.294 flat angles C4'-P-C4' energy: -167.177 flat angles P-C4'-P energy: -72.859 tors. eta vs tors. theta energy: -85.067 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: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1442.159034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.159034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.159034 (E_RNA) where: Base-Base interactions energy: -783.572 where: short stacking energy: -389.872 Base-Backbone interact. energy: -1.428 local terms energy: -657.158598 where: bonds (distance) C4'-P energy: -172.516 bonds (distance) P-C4' energy: -178.092 flat angles C4'-P-C4' energy: -150.518 flat angles P-C4'-P energy: -85.049 tors. eta vs tors. theta energy: -70.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1180.017970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.017970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.017970 (E_RNA) where: Base-Base interactions energy: -627.051 where: short stacking energy: -341.645 Base-Backbone interact. energy: -0.593 local terms energy: -552.374245 where: bonds (distance) C4'-P energy: -150.802 bonds (distance) P-C4' energy: -144.575 flat angles C4'-P-C4' energy: -134.532 flat angles P-C4'-P energy: -104.681 tors. eta vs tors. theta energy: -17.784 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: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1033.537942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.537942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.537942 (E_RNA) where: Base-Base interactions energy: -524.383 where: short stacking energy: -273.240 Base-Backbone interact. energy: -1.080 local terms energy: -508.074605 where: bonds (distance) C4'-P energy: -120.425 bonds (distance) P-C4' energy: -174.007 flat angles C4'-P-C4' energy: -109.282 flat angles P-C4'-P energy: -101.597 tors. eta vs tors. theta energy: -2.763 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: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -772.014966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.014966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.014966 (E_RNA) where: Base-Base interactions energy: -318.639 where: short stacking energy: -198.983 Base-Backbone interact. energy: 5.712 local terms energy: -459.087505 where: bonds (distance) C4'-P energy: -132.293 bonds (distance) P-C4' energy: -151.082 flat angles C4'-P-C4' energy: -115.738 flat angles P-C4'-P energy: -99.219 tors. eta vs tors. theta energy: 39.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2948.861950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.861950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.861950 (E_RNA) where: Base-Base interactions energy: -1992.876 where: short stacking energy: -855.995 Base-Backbone interact. energy: -1.465 local terms energy: -954.521415 where: bonds (distance) C4'-P energy: -157.067 bonds (distance) P-C4' energy: -195.983 flat angles C4'-P-C4' energy: -204.921 flat angles P-C4'-P energy: -127.880 tors. eta vs tors. theta energy: -268.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2755.485373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.485373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.485373 (E_RNA) where: Base-Base interactions energy: -1859.096 where: short stacking energy: -787.913 Base-Backbone interact. energy: -2.383 local terms energy: -894.005917 where: bonds (distance) C4'-P energy: -169.880 bonds (distance) P-C4' energy: -162.228 flat angles C4'-P-C4' energy: -190.961 flat angles P-C4'-P energy: -131.408 tors. eta vs tors. theta energy: -239.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2647.859544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.859544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.859544 (E_RNA) where: Base-Base interactions energy: -1753.937 where: short stacking energy: -783.020 Base-Backbone interact. energy: 0.597 local terms energy: -894.519647 where: bonds (distance) C4'-P energy: -164.566 bonds (distance) P-C4' energy: -174.622 flat angles C4'-P-C4' energy: -208.615 flat angles P-C4'-P energy: -118.431 tors. eta vs tors. theta energy: -228.286 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: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2479.874156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.874156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.874156 (E_RNA) where: Base-Base interactions energy: -1629.584 where: short stacking energy: -735.188 Base-Backbone interact. energy: -1.768 local terms energy: -848.521838 where: bonds (distance) C4'-P energy: -154.335 bonds (distance) P-C4' energy: -189.711 flat angles C4'-P-C4' energy: -179.207 flat angles P-C4'-P energy: -132.101 tors. eta vs tors. theta energy: -193.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2174.427319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.427319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.427319 (E_RNA) where: Base-Base interactions energy: -1410.302 where: short stacking energy: -603.331 Base-Backbone interact. energy: -2.280 local terms energy: -761.844854 where: bonds (distance) C4'-P energy: -167.913 bonds (distance) P-C4' energy: -171.329 flat angles C4'-P-C4' energy: -167.925 flat angles P-C4'-P energy: -112.848 tors. eta vs tors. theta energy: -141.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1708.319961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.319961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.319961 (E_RNA) where: Base-Base interactions energy: -1028.141 where: short stacking energy: -505.686 Base-Backbone interact. energy: -5.135 local terms energy: -675.043473 where: bonds (distance) C4'-P energy: -153.847 bonds (distance) P-C4' energy: -171.075 flat angles C4'-P-C4' energy: -159.727 flat angles P-C4'-P energy: -87.211 tors. eta vs tors. theta energy: -103.183 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: 1 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1362.701361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.701361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.701361 (E_RNA) where: Base-Base interactions energy: -773.151 where: short stacking energy: -394.481 Base-Backbone interact. energy: 0.709 local terms energy: -590.259176 where: bonds (distance) C4'-P energy: -166.094 bonds (distance) P-C4' energy: -141.552 flat angles C4'-P-C4' energy: -142.500 flat angles P-C4'-P energy: -92.641 tors. eta vs tors. theta energy: -47.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1116.158170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.158170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.158170 (E_RNA) where: Base-Base interactions energy: -590.909 where: short stacking energy: -309.535 Base-Backbone interact. energy: 0.265 local terms energy: -525.514402 where: bonds (distance) C4'-P energy: -134.142 bonds (distance) P-C4' energy: -149.118 flat angles C4'-P-C4' energy: -138.322 flat angles P-C4'-P energy: -80.006 tors. eta vs tors. theta energy: -23.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1015.650968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.650968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.650968 (E_RNA) where: Base-Base interactions energy: -486.946 where: short stacking energy: -244.691 Base-Backbone interact. energy: -2.105 local terms energy: -526.599622 where: bonds (distance) C4'-P energy: -161.320 bonds (distance) P-C4' energy: -150.543 flat angles C4'-P-C4' energy: -120.387 flat angles P-C4'-P energy: -94.350 tors. eta vs tors. theta energy: 0.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -737.601412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.601412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.601412 (E_RNA) where: Base-Base interactions energy: -280.333 where: short stacking energy: -203.328 Base-Backbone interact. energy: 4.669 local terms energy: -461.937528 where: bonds (distance) C4'-P energy: -163.658 bonds (distance) P-C4' energy: -134.122 flat angles C4'-P-C4' energy: -130.190 flat angles P-C4'-P energy: -72.745 tors. eta vs tors. theta energy: 38.777 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: 9 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2968.657525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.657525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.657525 (E_RNA) where: Base-Base interactions energy: -1992.502 where: short stacking energy: -846.751 Base-Backbone interact. energy: -2.310 local terms energy: -973.845472 where: bonds (distance) C4'-P energy: -182.513 bonds (distance) P-C4' energy: -184.543 flat angles C4'-P-C4' energy: -206.583 flat angles P-C4'-P energy: -145.987 tors. eta vs tors. theta energy: -254.219 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: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2799.194237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.194237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.194237 (E_RNA) where: Base-Base interactions energy: -1871.815 where: short stacking energy: -772.708 Base-Backbone interact. energy: -4.698 local terms energy: -922.680493 where: bonds (distance) C4'-P energy: -176.677 bonds (distance) P-C4' energy: -177.782 flat angles C4'-P-C4' energy: -200.843 flat angles P-C4'-P energy: -132.062 tors. eta vs tors. theta energy: -235.316 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: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2643.382866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.382866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.382866 (E_RNA) where: Base-Base interactions energy: -1775.186 where: short stacking energy: -778.819 Base-Backbone interact. energy: 2.298 local terms energy: -870.494543 where: bonds (distance) C4'-P energy: -178.130 bonds (distance) P-C4' energy: -148.826 flat angles C4'-P-C4' energy: -183.183 flat angles P-C4'-P energy: -137.618 tors. eta vs tors. theta energy: -222.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2459.741563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.741563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.741563 (E_RNA) where: Base-Base interactions energy: -1611.338 where: short stacking energy: -717.307 Base-Backbone interact. energy: -4.602 local terms energy: -843.801540 where: bonds (distance) C4'-P energy: -171.196 bonds (distance) P-C4' energy: -162.516 flat angles C4'-P-C4' energy: -190.148 flat angles P-C4'-P energy: -122.694 tors. eta vs tors. theta energy: -197.248 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: 129 Temperature: 1.100000 Total energy: -2138.726908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.726908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.726908 (E_RNA) where: Base-Base interactions energy: -1377.525 where: short stacking energy: -606.343 Base-Backbone interact. energy: -2.962 local terms energy: -758.239731 where: bonds (distance) C4'-P energy: -141.227 bonds (distance) P-C4' energy: -175.223 flat angles C4'-P-C4' energy: -176.414 flat angles P-C4'-P energy: -98.878 tors. eta vs tors. theta energy: -166.497 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: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1697.533993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.533993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.533993 (E_RNA) where: Base-Base interactions energy: -1062.603 where: short stacking energy: -526.327 Base-Backbone interact. energy: 2.144 local terms energy: -637.074731 where: bonds (distance) C4'-P energy: -150.168 bonds (distance) P-C4' energy: -169.369 flat angles C4'-P-C4' energy: -150.272 flat angles P-C4'-P energy: -65.537 tors. eta vs tors. theta energy: -101.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1399.538841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.538841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.538841 (E_RNA) where: Base-Base interactions energy: -793.969 where: short stacking energy: -395.481 Base-Backbone interact. energy: 6.030 local terms energy: -611.599949 where: bonds (distance) C4'-P energy: -151.745 bonds (distance) P-C4' energy: -159.334 flat angles C4'-P-C4' energy: -151.703 flat angles P-C4'-P energy: -91.160 tors. eta vs tors. theta energy: -57.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1153.690971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.690971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.690971 (E_RNA) where: Base-Base interactions energy: -613.542 where: short stacking energy: -342.479 Base-Backbone interact. energy: 2.010 local terms energy: -542.159138 where: bonds (distance) C4'-P energy: -146.013 bonds (distance) P-C4' energy: -146.274 flat angles C4'-P-C4' energy: -133.271 flat angles P-C4'-P energy: -87.499 tors. eta vs tors. theta energy: -29.102 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: 5 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -979.290254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.290254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.290254 (E_RNA) where: Base-Base interactions energy: -477.565 where: short stacking energy: -253.216 Base-Backbone interact. energy: 3.387 local terms energy: -505.112416 where: bonds (distance) C4'-P energy: -150.240 bonds (distance) P-C4' energy: -145.242 flat angles C4'-P-C4' energy: -124.861 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: -10.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -740.511693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.511693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.511693 (E_RNA) where: Base-Base interactions energy: -323.638 where: short stacking energy: -199.418 Base-Backbone interact. energy: 2.467 local terms energy: -419.340617 where: bonds (distance) C4'-P energy: -129.325 bonds (distance) P-C4' energy: -151.648 flat angles C4'-P-C4' energy: -111.398 flat angles P-C4'-P energy: -62.763 tors. eta vs tors. theta energy: 35.793 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: 130 Temperature: 0.900000 Total energy: -2980.121336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.121336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.121336 (E_RNA) where: Base-Base interactions energy: -1964.115 where: short stacking energy: -864.310 Base-Backbone interact. energy: -5.348 local terms energy: -1010.659142 where: bonds (distance) C4'-P energy: -187.974 bonds (distance) P-C4' energy: -185.719 flat angles C4'-P-C4' energy: -222.774 flat angles P-C4'-P energy: -137.438 tors. eta vs tors. theta energy: -276.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2737.676199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.676199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.676199 (E_RNA) where: Base-Base interactions energy: -1812.598 where: short stacking energy: -764.001 Base-Backbone interact. energy: -2.334 local terms energy: -922.744343 where: bonds (distance) C4'-P energy: -181.343 bonds (distance) P-C4' energy: -174.831 flat angles C4'-P-C4' energy: -200.598 flat angles P-C4'-P energy: -130.879 tors. eta vs tors. theta energy: -235.093 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: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2637.441112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.441112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.441112 (E_RNA) where: Base-Base interactions energy: -1777.931 where: short stacking energy: -729.210 Base-Backbone interact. energy: -2.525 local terms energy: -856.984923 where: bonds (distance) C4'-P energy: -175.184 bonds (distance) P-C4' energy: -168.626 flat angles C4'-P-C4' energy: -200.990 flat angles P-C4'-P energy: -101.669 tors. eta vs tors. theta energy: -210.516 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: 4, replica: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2407.665269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.665269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.665269 (E_RNA) where: Base-Base interactions energy: -1599.171 where: short stacking energy: -697.073 Base-Backbone interact. energy: -1.173 local terms energy: -807.320562 where: bonds (distance) C4'-P energy: -175.992 bonds (distance) P-C4' energy: -170.748 flat angles C4'-P-C4' energy: -183.138 flat angles P-C4'-P energy: -99.632 tors. eta vs tors. theta energy: -177.811 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: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2194.128613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.128613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.128613 (E_RNA) where: Base-Base interactions energy: -1419.475 where: short stacking energy: -631.745 Base-Backbone interact. energy: 0.044 local terms energy: -774.697236 where: bonds (distance) C4'-P energy: -156.181 bonds (distance) P-C4' energy: -169.032 flat angles C4'-P-C4' energy: -193.510 flat angles P-C4'-P energy: -98.593 tors. eta vs tors. theta energy: -157.381 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: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1710.963056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.963056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.963056 (E_RNA) where: Base-Base interactions energy: -1048.815 where: short stacking energy: -487.770 Base-Backbone interact. energy: -4.246 local terms energy: -657.902351 where: bonds (distance) C4'-P energy: -167.538 bonds (distance) P-C4' energy: -142.486 flat angles C4'-P-C4' energy: -142.657 flat angles P-C4'-P energy: -96.281 tors. eta vs tors. theta energy: -108.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1472.208572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.208572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.208572 (E_RNA) where: Base-Base interactions energy: -833.085 where: short stacking energy: -416.491 Base-Backbone interact. energy: 0.038 local terms energy: -639.161022 where: bonds (distance) C4'-P energy: -141.419 bonds (distance) P-C4' energy: -160.347 flat angles C4'-P-C4' energy: -155.718 flat angles P-C4'-P energy: -104.922 tors. eta vs tors. theta energy: -76.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1173.902495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.902495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.902495 (E_RNA) where: Base-Base interactions energy: -568.074 where: short stacking energy: -306.622 Base-Backbone interact. energy: 3.372 local terms energy: -609.199970 where: bonds (distance) C4'-P energy: -169.881 bonds (distance) P-C4' energy: -171.576 flat angles C4'-P-C4' energy: -158.624 flat angles P-C4'-P energy: -78.600 tors. eta vs tors. theta energy: -30.519 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: 130 Temperature: 1.300000 Total energy: -1019.753818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.753818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.753818 (E_RNA) where: Base-Base interactions energy: -507.742 where: short stacking energy: -293.964 Base-Backbone interact. energy: 5.240 local terms energy: -517.251865 where: bonds (distance) C4'-P energy: -145.008 bonds (distance) P-C4' energy: -147.494 flat angles C4'-P-C4' energy: -124.196 flat angles P-C4'-P energy: -70.821 tors. eta vs tors. theta energy: -29.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -732.855256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.855256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.855256 (E_RNA) where: Base-Base interactions energy: -283.543 where: short stacking energy: -193.407 Base-Backbone interact. energy: -1.854 local terms energy: -447.457664 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -161.005 flat angles C4'-P-C4' energy: -119.404 flat angles P-C4'-P energy: -62.323 tors. eta vs tors. theta energy: 24.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2997.901765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.901765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.901765 (E_RNA) where: Base-Base interactions energy: -2044.650 where: short stacking energy: -859.144 Base-Backbone interact. energy: 0.965 local terms energy: -954.216458 where: bonds (distance) C4'-P energy: -169.660 bonds (distance) P-C4' energy: -185.286 flat angles C4'-P-C4' energy: -202.140 flat angles P-C4'-P energy: -138.314 tors. eta vs tors. theta energy: -258.816 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: 6 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2740.323158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.323158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.323158 (E_RNA) where: Base-Base interactions energy: -1863.077 where: short stacking energy: -783.761 Base-Backbone interact. energy: -7.612 local terms energy: -869.633465 where: bonds (distance) C4'-P energy: -165.029 bonds (distance) P-C4' energy: -168.593 flat angles C4'-P-C4' energy: -189.571 flat angles P-C4'-P energy: -122.488 tors. eta vs tors. theta energy: -223.952 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: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2640.578690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.578690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.578690 (E_RNA) where: Base-Base interactions energy: -1784.798 where: short stacking energy: -753.523 Base-Backbone interact. energy: -1.746 local terms energy: -854.034746 where: bonds (distance) C4'-P energy: -164.655 bonds (distance) P-C4' energy: -151.029 flat angles C4'-P-C4' energy: -189.396 flat angles P-C4'-P energy: -134.246 tors. eta vs tors. theta energy: -214.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2367.668149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.668149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.668149 (E_RNA) where: Base-Base interactions energy: -1596.902 where: short stacking energy: -662.562 Base-Backbone interact. energy: -5.150 local terms energy: -765.616525 where: bonds (distance) C4'-P energy: -136.651 bonds (distance) P-C4' energy: -176.284 flat angles C4'-P-C4' energy: -161.807 flat angles P-C4'-P energy: -111.365 tors. eta vs tors. theta energy: -179.509 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: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2132.435841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.435841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.435841 (E_RNA) where: Base-Base interactions energy: -1339.056 where: short stacking energy: -593.068 Base-Backbone interact. energy: -0.463 local terms energy: -792.917184 where: bonds (distance) C4'-P energy: -167.308 bonds (distance) P-C4' energy: -163.766 flat angles C4'-P-C4' energy: -173.899 flat angles P-C4'-P energy: -122.055 tors. eta vs tors. theta energy: -165.888 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: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1700.096823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.096823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.096823 (E_RNA) where: Base-Base interactions energy: -1009.981 where: short stacking energy: -495.721 Base-Backbone interact. energy: -4.452 local terms energy: -685.664445 where: bonds (distance) C4'-P energy: -155.539 bonds (distance) P-C4' energy: -159.944 flat angles C4'-P-C4' energy: -159.302 flat angles P-C4'-P energy: -95.640 tors. eta vs tors. theta energy: -115.239 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: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1409.009876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.009876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.009876 (E_RNA) where: Base-Base interactions energy: -814.724 where: short stacking energy: -396.146 Base-Backbone interact. energy: 0.447 local terms energy: -594.733397 where: bonds (distance) C4'-P energy: -138.885 bonds (distance) P-C4' energy: -153.093 flat angles C4'-P-C4' energy: -154.287 flat angles P-C4'-P energy: -94.235 tors. eta vs tors. theta energy: -54.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1202.645705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.645705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.645705 (E_RNA) where: Base-Base interactions energy: -616.920 where: short stacking energy: -323.030 Base-Backbone interact. energy: 0.142 local terms energy: -585.867691 where: bonds (distance) C4'-P energy: -157.763 bonds (distance) P-C4' energy: -166.586 flat angles C4'-P-C4' energy: -133.284 flat angles P-C4'-P energy: -103.036 tors. eta vs tors. theta energy: -25.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1013.264326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.264326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.264326 (E_RNA) where: Base-Base interactions energy: -508.095 where: short stacking energy: -261.460 Base-Backbone interact. energy: 5.075 local terms energy: -510.243536 where: bonds (distance) C4'-P energy: -129.800 bonds (distance) P-C4' energy: -163.950 flat angles C4'-P-C4' energy: -126.613 flat angles P-C4'-P energy: -89.004 tors. eta vs tors. theta energy: -0.877 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: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -773.763839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.763839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.763839 (E_RNA) where: Base-Base interactions energy: -322.450 where: short stacking energy: -218.535 Base-Backbone interact. energy: 6.002 local terms energy: -457.316044 where: bonds (distance) C4'-P energy: -129.251 bonds (distance) P-C4' energy: -152.931 flat angles C4'-P-C4' energy: -101.748 flat angles P-C4'-P energy: -91.089 tors. eta vs tors. theta energy: 17.703 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: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2991.032482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.032482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.032482 (E_RNA) where: Base-Base interactions energy: -2011.045 where: short stacking energy: -848.428 Base-Backbone interact. energy: -3.988 local terms energy: -975.998883 where: bonds (distance) C4'-P energy: -196.590 bonds (distance) P-C4' energy: -179.911 flat angles C4'-P-C4' energy: -202.098 flat angles P-C4'-P energy: -129.147 tors. eta vs tors. theta energy: -268.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2680.375173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.375173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.375173 (E_RNA) where: Base-Base interactions energy: -1779.388 where: short stacking energy: -749.281 Base-Backbone interact. energy: -2.781 local terms energy: -898.205939 where: bonds (distance) C4'-P energy: -168.678 bonds (distance) P-C4' energy: -176.934 flat angles C4'-P-C4' energy: -193.102 flat angles P-C4'-P energy: -135.020 tors. eta vs tors. theta energy: -224.471 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: 3, replica: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2628.405080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.405080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.405080 (E_RNA) where: Base-Base interactions energy: -1743.144 where: short stacking energy: -713.449 Base-Backbone interact. energy: 1.781 local terms energy: -887.041791 where: bonds (distance) C4'-P energy: -167.937 bonds (distance) P-C4' energy: -183.004 flat angles C4'-P-C4' energy: -198.094 flat angles P-C4'-P energy: -132.723 tors. eta vs tors. theta energy: -205.284 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: 132 Temperature: 1.050000 Total energy: -2365.354082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.354082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.354082 (E_RNA) where: Base-Base interactions energy: -1563.502 where: short stacking energy: -684.370 Base-Backbone interact. energy: 1.824 local terms energy: -803.676587 where: bonds (distance) C4'-P energy: -164.311 bonds (distance) P-C4' energy: -171.138 flat angles C4'-P-C4' energy: -182.689 flat angles P-C4'-P energy: -107.816 tors. eta vs tors. theta energy: -177.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2131.737631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.737631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.737631 (E_RNA) where: Base-Base interactions energy: -1365.746 where: short stacking energy: -612.107 Base-Backbone interact. energy: -2.996 local terms energy: -762.995871 where: bonds (distance) C4'-P energy: -159.527 bonds (distance) P-C4' energy: -155.806 flat angles C4'-P-C4' energy: -172.590 flat angles P-C4'-P energy: -115.478 tors. eta vs tors. theta energy: -159.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1653.158142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.158142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.158142 (E_RNA) where: Base-Base interactions energy: -1012.606 where: short stacking energy: -429.740 Base-Backbone interact. energy: 3.527 local terms energy: -644.079319 where: bonds (distance) C4'-P energy: -158.809 bonds (distance) P-C4' energy: -153.557 flat angles C4'-P-C4' energy: -168.562 flat angles P-C4'-P energy: -87.966 tors. eta vs tors. theta energy: -75.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1504.570356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.570356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.570356 (E_RNA) where: Base-Base interactions energy: -857.121 where: short stacking energy: -409.382 Base-Backbone interact. energy: -2.336 local terms energy: -645.114153 where: bonds (distance) C4'-P energy: -150.871 bonds (distance) P-C4' energy: -154.342 flat angles C4'-P-C4' energy: -163.833 flat angles P-C4'-P energy: -113.403 tors. eta vs tors. theta energy: -62.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1177.289469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.289469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.289469 (E_RNA) where: Base-Base interactions energy: -629.788 where: short stacking energy: -340.122 Base-Backbone interact. energy: 2.867 local terms energy: -550.369080 where: bonds (distance) C4'-P energy: -149.783 bonds (distance) P-C4' energy: -163.669 flat angles C4'-P-C4' energy: -133.266 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: -38.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -998.831186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.831186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.831186 (E_RNA) where: Base-Base interactions energy: -497.759 where: short stacking energy: -236.272 Base-Backbone interact. energy: 10.475 local terms energy: -511.547282 where: bonds (distance) C4'-P energy: -132.347 bonds (distance) P-C4' energy: -159.657 flat angles C4'-P-C4' energy: -142.481 flat angles P-C4'-P energy: -81.703 tors. eta vs tors. theta energy: 4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -716.362625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.362625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.362625 (E_RNA) where: Base-Base interactions energy: -290.755 where: short stacking energy: -202.427 Base-Backbone interact. energy: 0.806 local terms energy: -426.413042 where: bonds (distance) C4'-P energy: -127.724 bonds (distance) P-C4' energy: -136.196 flat angles C4'-P-C4' energy: -105.961 flat angles P-C4'-P energy: -83.868 tors. eta vs tors. theta energy: 27.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2972.661199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.661199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.661199 (E_RNA) where: Base-Base interactions energy: -1995.847 where: short stacking energy: -856.150 Base-Backbone interact. energy: -5.308 local terms energy: -971.506722 where: bonds (distance) C4'-P energy: -163.873 bonds (distance) P-C4' energy: -199.511 flat angles C4'-P-C4' energy: -212.974 flat angles P-C4'-P energy: -146.636 tors. eta vs tors. theta energy: -248.513 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: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2737.066893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.066893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.066893 (E_RNA) where: Base-Base interactions energy: -1839.656 where: short stacking energy: -741.680 Base-Backbone interact. energy: -4.635 local terms energy: -892.776623 where: bonds (distance) C4'-P energy: -188.827 bonds (distance) P-C4' energy: -165.630 flat angles C4'-P-C4' energy: -205.075 flat angles P-C4'-P energy: -120.603 tors. eta vs tors. theta energy: -212.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2659.839858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.839858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.839858 (E_RNA) where: Base-Base interactions energy: -1786.576 where: short stacking energy: -744.075 Base-Backbone interact. energy: -4.574 local terms energy: -868.690150 where: bonds (distance) C4'-P energy: -169.265 bonds (distance) P-C4' energy: -169.462 flat angles C4'-P-C4' energy: -182.540 flat angles P-C4'-P energy: -130.688 tors. eta vs tors. theta energy: -216.735 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: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2467.383392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.383392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.383392 (E_RNA) where: Base-Base interactions energy: -1643.968 where: short stacking energy: -721.829 Base-Backbone interact. energy: -1.507 local terms energy: -821.908370 where: bonds (distance) C4'-P energy: -146.650 bonds (distance) P-C4' energy: -171.657 flat angles C4'-P-C4' energy: -197.717 flat angles P-C4'-P energy: -112.135 tors. eta vs tors. theta energy: -193.749 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: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2172.047387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.047387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.047387 (E_RNA) where: Base-Base interactions energy: -1419.930 where: short stacking energy: -601.102 Base-Backbone interact. energy: 0.451 local terms energy: -752.568186 where: bonds (distance) C4'-P energy: -147.715 bonds (distance) P-C4' energy: -175.848 flat angles C4'-P-C4' energy: -178.738 flat angles P-C4'-P energy: -102.474 tors. eta vs tors. theta energy: -147.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1683.403235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.403235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.403235 (E_RNA) where: Base-Base interactions energy: -1030.889 where: short stacking energy: -488.486 Base-Backbone interact. energy: -0.369 local terms energy: -652.144815 where: bonds (distance) C4'-P energy: -167.286 bonds (distance) P-C4' energy: -151.482 flat angles C4'-P-C4' energy: -143.048 flat angles P-C4'-P energy: -96.086 tors. eta vs tors. theta energy: -94.243 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: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1469.025204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.025204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.025204 (E_RNA) where: Base-Base interactions energy: -871.253 where: short stacking energy: -410.388 Base-Backbone interact. energy: 0.949 local terms energy: -598.721334 where: bonds (distance) C4'-P energy: -144.466 bonds (distance) P-C4' energy: -146.770 flat angles C4'-P-C4' energy: -157.365 flat angles P-C4'-P energy: -92.446 tors. eta vs tors. theta energy: -57.675 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: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1148.402780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.402780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.402780 (E_RNA) where: Base-Base interactions energy: -617.912 where: short stacking energy: -328.695 Base-Backbone interact. energy: -1.854 local terms energy: -528.636023 where: bonds (distance) C4'-P energy: -145.846 bonds (distance) P-C4' energy: -148.291 flat angles C4'-P-C4' energy: -148.250 flat angles P-C4'-P energy: -57.543 tors. eta vs tors. theta energy: -28.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -978.426784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.426784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.426784 (E_RNA) where: Base-Base interactions energy: -467.633 where: short stacking energy: -278.587 Base-Backbone interact. energy: 0.738 local terms energy: -511.532495 where: bonds (distance) C4'-P energy: -156.776 bonds (distance) P-C4' energy: -158.330 flat angles C4'-P-C4' energy: -132.028 flat angles P-C4'-P energy: -57.361 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -728.781594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.781594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.781594 (E_RNA) where: Base-Base interactions energy: -251.467 where: short stacking energy: -200.755 Base-Backbone interact. energy: 7.300 local terms energy: -484.614931 where: bonds (distance) C4'-P energy: -140.751 bonds (distance) P-C4' energy: -154.701 flat angles C4'-P-C4' energy: -137.079 flat angles P-C4'-P energy: -83.894 tors. eta vs tors. theta energy: 31.810 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: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2965.530990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.530990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.530990 (E_RNA) where: Base-Base interactions energy: -2045.583 where: short stacking energy: -814.990 Base-Backbone interact. energy: -0.713 local terms energy: -919.235184 where: bonds (distance) C4'-P energy: -178.395 bonds (distance) P-C4' energy: -166.982 flat angles C4'-P-C4' energy: -215.132 flat angles P-C4'-P energy: -120.492 tors. eta vs tors. theta energy: -238.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2652.534102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.534102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.534102 (E_RNA) where: Base-Base interactions energy: -1785.994 where: short stacking energy: -764.153 Base-Backbone interact. energy: -3.972 local terms energy: -862.567456 where: bonds (distance) C4'-P energy: -167.527 bonds (distance) P-C4' energy: -162.239 flat angles C4'-P-C4' energy: -189.110 flat angles P-C4'-P energy: -127.467 tors. eta vs tors. theta energy: -216.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2617.278038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.278038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.278038 (E_RNA) where: Base-Base interactions energy: -1763.945 where: short stacking energy: -730.717 Base-Backbone interact. energy: -1.851 local terms energy: -851.481778 where: bonds (distance) C4'-P energy: -170.593 bonds (distance) P-C4' energy: -177.383 flat angles C4'-P-C4' energy: -185.378 flat angles P-C4'-P energy: -103.031 tors. eta vs tors. theta energy: -215.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2461.706530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.706530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.706530 (E_RNA) where: Base-Base interactions energy: -1591.890 where: short stacking energy: -723.193 Base-Backbone interact. energy: 2.953 local terms energy: -872.769918 where: bonds (distance) C4'-P energy: -178.218 bonds (distance) P-C4' energy: -173.316 flat angles C4'-P-C4' energy: -200.895 flat angles P-C4'-P energy: -118.142 tors. eta vs tors. theta energy: -202.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2167.425093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.425093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.425093 (E_RNA) where: Base-Base interactions energy: -1392.593 where: short stacking energy: -594.311 Base-Backbone interact. energy: -4.998 local terms energy: -769.833606 where: bonds (distance) C4'-P energy: -134.240 bonds (distance) P-C4' energy: -171.308 flat angles C4'-P-C4' energy: -166.049 flat angles P-C4'-P energy: -128.812 tors. eta vs tors. theta energy: -169.425 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: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1652.667503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.667503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.667503 (E_RNA) where: Base-Base interactions energy: -1016.153 where: short stacking energy: -508.604 Base-Backbone interact. energy: 1.378 local terms energy: -637.892422 where: bonds (distance) C4'-P energy: -160.696 bonds (distance) P-C4' energy: -159.886 flat angles C4'-P-C4' energy: -155.703 flat angles P-C4'-P energy: -70.312 tors. eta vs tors. theta energy: -91.295 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: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1265.154927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.154927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.154927 (E_RNA) where: Base-Base interactions energy: -682.838 where: short stacking energy: -358.771 Base-Backbone interact. energy: 0.604 local terms energy: -582.920017 where: bonds (distance) C4'-P energy: -140.424 bonds (distance) P-C4' energy: -159.211 flat angles C4'-P-C4' energy: -155.519 flat angles P-C4'-P energy: -93.732 tors. eta vs tors. theta energy: -34.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1138.893356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.893356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.893356 (E_RNA) where: Base-Base interactions energy: -598.591 where: short stacking energy: -295.478 Base-Backbone interact. energy: 5.705 local terms energy: -546.007041 where: bonds (distance) C4'-P energy: -144.155 bonds (distance) P-C4' energy: -137.049 flat angles C4'-P-C4' energy: -145.748 flat angles P-C4'-P energy: -98.498 tors. eta vs tors. theta energy: -20.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -955.891627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.891627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.891627 (E_RNA) where: Base-Base interactions energy: -489.576 where: short stacking energy: -257.094 Base-Backbone interact. energy: 6.260 local terms energy: -472.574902 where: bonds (distance) C4'-P energy: -138.860 bonds (distance) P-C4' energy: -131.192 flat angles C4'-P-C4' energy: -130.741 flat angles P-C4'-P energy: -78.087 tors. eta vs tors. theta energy: 6.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -716.636831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.636831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.636831 (E_RNA) where: Base-Base interactions energy: -243.046 where: short stacking energy: -185.533 Base-Backbone interact. energy: 7.282 local terms energy: -480.872872 where: bonds (distance) C4'-P energy: -163.850 bonds (distance) P-C4' energy: -155.400 flat angles C4'-P-C4' energy: -116.664 flat angles P-C4'-P energy: -74.889 tors. eta vs tors. theta energy: 29.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2981.782307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.782307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.782307 (E_RNA) where: Base-Base interactions energy: -2028.455 where: short stacking energy: -862.026 Base-Backbone interact. energy: -4.467 local terms energy: -948.860905 where: bonds (distance) C4'-P energy: -178.371 bonds (distance) P-C4' energy: -185.294 flat angles C4'-P-C4' energy: -215.195 flat angles P-C4'-P energy: -125.182 tors. eta vs tors. theta energy: -244.818 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: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2693.928820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.928820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.928820 (E_RNA) where: Base-Base interactions energy: -1795.394 where: short stacking energy: -770.894 Base-Backbone interact. energy: -0.867 local terms energy: -897.667854 where: bonds (distance) C4'-P energy: -165.837 bonds (distance) P-C4' energy: -177.507 flat angles C4'-P-C4' energy: -199.317 flat angles P-C4'-P energy: -122.312 tors. eta vs tors. theta energy: -232.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2620.904556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.904556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.904556 (E_RNA) where: Base-Base interactions energy: -1713.031 where: short stacking energy: -745.625 Base-Backbone interact. energy: -5.101 local terms energy: -902.772128 where: bonds (distance) C4'-P energy: -177.267 bonds (distance) P-C4' energy: -183.135 flat angles C4'-P-C4' energy: -191.915 flat angles P-C4'-P energy: -138.407 tors. eta vs tors. theta energy: -212.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2439.807445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.807445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.807445 (E_RNA) where: Base-Base interactions energy: -1615.767 where: short stacking energy: -694.542 Base-Backbone interact. energy: 0.021 local terms energy: -824.061438 where: bonds (distance) C4'-P energy: -169.820 bonds (distance) P-C4' energy: -173.156 flat angles C4'-P-C4' energy: -176.969 flat angles P-C4'-P energy: -105.269 tors. eta vs tors. theta energy: -198.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2149.044458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.044458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.044458 (E_RNA) where: Base-Base interactions energy: -1355.577 where: short stacking energy: -634.148 Base-Backbone interact. energy: -4.216 local terms energy: -789.250978 where: bonds (distance) C4'-P energy: -166.814 bonds (distance) P-C4' energy: -160.056 flat angles C4'-P-C4' energy: -172.795 flat angles P-C4'-P energy: -115.789 tors. eta vs tors. theta energy: -173.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1659.252236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.252236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.252236 (E_RNA) where: Base-Base interactions energy: -992.120 where: short stacking energy: -465.679 Base-Backbone interact. energy: 0.594 local terms energy: -667.726072 where: bonds (distance) C4'-P energy: -149.461 bonds (distance) P-C4' energy: -166.655 flat angles C4'-P-C4' energy: -152.321 flat angles P-C4'-P energy: -99.751 tors. eta vs tors. theta energy: -99.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1266.076920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.076920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.076920 (E_RNA) where: Base-Base interactions energy: -717.156 where: short stacking energy: -363.188 Base-Backbone interact. energy: -1.937 local terms energy: -546.983912 where: bonds (distance) C4'-P energy: -140.314 bonds (distance) P-C4' energy: -169.267 flat angles C4'-P-C4' energy: -144.770 flat angles P-C4'-P energy: -74.984 tors. eta vs tors. theta energy: -17.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1131.150013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.150013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.150013 (E_RNA) where: Base-Base interactions energy: -583.103 where: short stacking energy: -294.433 Base-Backbone interact. energy: -4.126 local terms energy: -543.921845 where: bonds (distance) C4'-P energy: -157.664 bonds (distance) P-C4' energy: -160.206 flat angles C4'-P-C4' energy: -127.055 flat angles P-C4'-P energy: -75.076 tors. eta vs tors. theta energy: -23.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -852.749257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.749257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.749257 (E_RNA) where: Base-Base interactions energy: -368.745 where: short stacking energy: -211.681 Base-Backbone interact. energy: -0.815 local terms energy: -483.188796 where: bonds (distance) C4'-P energy: -149.226 bonds (distance) P-C4' energy: -154.892 flat angles C4'-P-C4' energy: -103.263 flat angles P-C4'-P energy: -82.556 tors. eta vs tors. theta energy: 6.748 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: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -661.103229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.103229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.103229 (E_RNA) where: Base-Base interactions energy: -242.478 where: short stacking energy: -194.276 Base-Backbone interact. energy: -0.561 local terms energy: -418.063759 where: bonds (distance) C4'-P energy: -133.408 bonds (distance) P-C4' energy: -147.746 flat angles C4'-P-C4' energy: -111.078 flat angles P-C4'-P energy: -65.205 tors. eta vs tors. theta energy: 39.373 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: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2969.768955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.768955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.768955 (E_RNA) where: Base-Base interactions energy: -2016.699 where: short stacking energy: -848.270 Base-Backbone interact. energy: -6.026 local terms energy: -947.044571 where: bonds (distance) C4'-P energy: -185.334 bonds (distance) P-C4' energy: -177.778 flat angles C4'-P-C4' energy: -192.851 flat angles P-C4'-P energy: -140.325 tors. eta vs tors. theta energy: -250.757 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: 2, replica: 6 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2746.060550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.060550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.060550 (E_RNA) where: Base-Base interactions energy: -1841.507 where: short stacking energy: -770.974 Base-Backbone interact. energy: -3.194 local terms energy: -901.359625 where: bonds (distance) C4'-P energy: -170.459 bonds (distance) P-C4' energy: -173.805 flat angles C4'-P-C4' energy: -204.827 flat angles P-C4'-P energy: -121.136 tors. eta vs tors. theta energy: -231.132 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: 3, replica: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2635.884324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.884324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.884324 (E_RNA) where: Base-Base interactions energy: -1720.073 where: short stacking energy: -760.176 Base-Backbone interact. energy: -2.082 local terms energy: -913.728652 where: bonds (distance) C4'-P energy: -164.597 bonds (distance) P-C4' energy: -179.623 flat angles C4'-P-C4' energy: -206.006 flat angles P-C4'-P energy: -139.301 tors. eta vs tors. theta energy: -224.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2437.838937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.838937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.838937 (E_RNA) where: Base-Base interactions energy: -1619.748 where: short stacking energy: -667.721 Base-Backbone interact. energy: -2.550 local terms energy: -815.540209 where: bonds (distance) C4'-P energy: -170.922 bonds (distance) P-C4' energy: -159.951 flat angles C4'-P-C4' energy: -195.177 flat angles P-C4'-P energy: -97.773 tors. eta vs tors. theta energy: -191.717 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: 136 Temperature: 1.100000 Total energy: -2179.535714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.535714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.535714 (E_RNA) where: Base-Base interactions energy: -1403.544 where: short stacking energy: -626.728 Base-Backbone interact. energy: -4.904 local terms energy: -771.087244 where: bonds (distance) C4'-P energy: -168.612 bonds (distance) P-C4' energy: -146.506 flat angles C4'-P-C4' energy: -175.344 flat angles P-C4'-P energy: -118.419 tors. eta vs tors. theta energy: -162.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1720.613582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.613582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.613582 (E_RNA) where: Base-Base interactions energy: -1082.266 where: short stacking energy: -496.173 Base-Backbone interact. energy: 2.213 local terms energy: -640.560997 where: bonds (distance) C4'-P energy: -144.955 bonds (distance) P-C4' energy: -143.610 flat angles C4'-P-C4' energy: -149.863 flat angles P-C4'-P energy: -94.339 tors. eta vs tors. theta energy: -107.794 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: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1283.196454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.196454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.196454 (E_RNA) where: Base-Base interactions energy: -682.823 where: short stacking energy: -364.432 Base-Backbone interact. energy: -1.729 local terms energy: -598.645144 where: bonds (distance) C4'-P energy: -129.683 bonds (distance) P-C4' energy: -154.276 flat angles C4'-P-C4' energy: -162.146 flat angles P-C4'-P energy: -104.626 tors. eta vs tors. theta energy: -47.913 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: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1201.807535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.807535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.807535 (E_RNA) where: Base-Base interactions energy: -628.802 where: short stacking energy: -354.057 Base-Backbone interact. energy: 8.194 local terms energy: -581.199802 where: bonds (distance) C4'-P energy: -156.290 bonds (distance) P-C4' energy: -161.319 flat angles C4'-P-C4' energy: -141.005 flat angles P-C4'-P energy: -79.663 tors. eta vs tors. theta energy: -42.923 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: 136 Temperature: 1.300000 Total energy: -877.278381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.278381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.278381 (E_RNA) where: Base-Base interactions energy: -396.075 where: short stacking energy: -215.073 Base-Backbone interact. energy: -3.130 local terms energy: -478.074269 where: bonds (distance) C4'-P energy: -141.710 bonds (distance) P-C4' energy: -145.784 flat angles C4'-P-C4' energy: -133.416 flat angles P-C4'-P energy: -71.114 tors. eta vs tors. theta energy: 13.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -615.964812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.964812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.964812 (E_RNA) where: Base-Base interactions energy: -212.995 where: short stacking energy: -165.153 Base-Backbone interact. energy: 1.153 local terms energy: -404.122105 where: bonds (distance) C4'-P energy: -125.750 bonds (distance) P-C4' energy: -156.767 flat angles C4'-P-C4' energy: -110.590 flat angles P-C4'-P energy: -60.734 tors. eta vs tors. theta energy: 49.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2982.365807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.365807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.365807 (E_RNA) where: Base-Base interactions energy: -2018.516 where: short stacking energy: -820.713 Base-Backbone interact. energy: -8.727 local terms energy: -955.121972 where: bonds (distance) C4'-P energy: -181.416 bonds (distance) P-C4' energy: -180.063 flat angles C4'-P-C4' energy: -209.176 flat angles P-C4'-P energy: -133.251 tors. eta vs tors. theta energy: -251.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2727.744898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.744898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.744898 (E_RNA) where: Base-Base interactions energy: -1810.428 where: short stacking energy: -773.129 Base-Backbone interact. energy: -6.419 local terms energy: -910.898754 where: bonds (distance) C4'-P energy: -177.459 bonds (distance) P-C4' energy: -170.699 flat angles C4'-P-C4' energy: -201.678 flat angles P-C4'-P energy: -130.158 tors. eta vs tors. theta energy: -230.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2641.549401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.549401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.549401 (E_RNA) where: Base-Base interactions energy: -1752.073 where: short stacking energy: -759.567 Base-Backbone interact. energy: -6.515 local terms energy: -882.960692 where: bonds (distance) C4'-P energy: -179.165 bonds (distance) P-C4' energy: -174.655 flat angles C4'-P-C4' energy: -202.478 flat angles P-C4'-P energy: -104.581 tors. eta vs tors. theta energy: -222.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2410.452249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.452249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.452249 (E_RNA) where: Base-Base interactions energy: -1602.894 where: short stacking energy: -649.934 Base-Backbone interact. energy: 1.479 local terms energy: -809.037617 where: bonds (distance) C4'-P energy: -170.150 bonds (distance) P-C4' energy: -165.437 flat angles C4'-P-C4' energy: -177.960 flat angles P-C4'-P energy: -105.379 tors. eta vs tors. theta energy: -190.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2158.075419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.075419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.075419 (E_RNA) where: Base-Base interactions energy: -1404.312 where: short stacking energy: -625.415 Base-Backbone interact. energy: 0.230 local terms energy: -753.993310 where: bonds (distance) C4'-P energy: -146.053 bonds (distance) P-C4' energy: -158.318 flat angles C4'-P-C4' energy: -166.398 flat angles P-C4'-P energy: -109.805 tors. eta vs tors. theta energy: -173.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1715.630790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.630790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.630790 (E_RNA) where: Base-Base interactions energy: -1031.345 where: short stacking energy: -498.736 Base-Backbone interact. energy: -3.104 local terms energy: -681.181501 where: bonds (distance) C4'-P energy: -168.250 bonds (distance) P-C4' energy: -144.831 flat angles C4'-P-C4' energy: -173.659 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -104.062 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: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1349.992831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.992831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.992831 (E_RNA) where: Base-Base interactions energy: -771.413 where: short stacking energy: -366.833 Base-Backbone interact. energy: 9.695 local terms energy: -588.274520 where: bonds (distance) C4'-P energy: -139.461 bonds (distance) P-C4' energy: -154.367 flat angles C4'-P-C4' energy: -139.879 flat angles P-C4'-P energy: -102.778 tors. eta vs tors. theta energy: -51.790 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: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1186.220600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.220600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.220600 (E_RNA) where: Base-Base interactions energy: -618.397 where: short stacking energy: -300.089 Base-Backbone interact. energy: 2.702 local terms energy: -570.525738 where: bonds (distance) C4'-P energy: -150.093 bonds (distance) P-C4' energy: -183.230 flat angles C4'-P-C4' energy: -138.084 flat angles P-C4'-P energy: -88.021 tors. eta vs tors. theta energy: -11.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -914.789227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.789227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.789227 (E_RNA) where: Base-Base interactions energy: -440.633 where: short stacking energy: -264.826 Base-Backbone interact. energy: -0.669 local terms energy: -473.488001 where: bonds (distance) C4'-P energy: -156.528 bonds (distance) P-C4' energy: -158.065 flat angles C4'-P-C4' energy: -124.207 flat angles P-C4'-P energy: -51.243 tors. eta vs tors. theta energy: 16.555 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: 8 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -659.839524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.839524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.839524 (E_RNA) where: Base-Base interactions energy: -226.674 where: short stacking energy: -176.858 Base-Backbone interact. energy: 4.068 local terms energy: -437.233656 where: bonds (distance) C4'-P energy: -131.760 bonds (distance) P-C4' energy: -131.198 flat angles C4'-P-C4' energy: -138.480 flat angles P-C4'-P energy: -65.045 tors. eta vs tors. theta energy: 29.249 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: 138 Temperature: 0.900000 Total energy: -3005.403974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.403974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.403974 (E_RNA) where: Base-Base interactions energy: -2013.186 where: short stacking energy: -854.601 Base-Backbone interact. energy: -5.991 local terms energy: -986.226853 where: bonds (distance) C4'-P energy: -183.515 bonds (distance) P-C4' energy: -189.568 flat angles C4'-P-C4' energy: -216.027 flat angles P-C4'-P energy: -139.808 tors. eta vs tors. theta energy: -257.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2712.117047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.117047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.117047 (E_RNA) where: Base-Base interactions energy: -1797.841 where: short stacking energy: -787.029 Base-Backbone interact. energy: -0.320 local terms energy: -913.956565 where: bonds (distance) C4'-P energy: -172.700 bonds (distance) P-C4' energy: -184.062 flat angles C4'-P-C4' energy: -211.411 flat angles P-C4'-P energy: -111.919 tors. eta vs tors. theta energy: -233.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2659.690601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.690601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.690601 (E_RNA) where: Base-Base interactions energy: -1749.567 where: short stacking energy: -746.745 Base-Backbone interact. energy: -6.682 local terms energy: -903.441626 where: bonds (distance) C4'-P energy: -169.456 bonds (distance) P-C4' energy: -174.410 flat angles C4'-P-C4' energy: -197.108 flat angles P-C4'-P energy: -136.132 tors. eta vs tors. theta energy: -226.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2422.794229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.794229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.794229 (E_RNA) where: Base-Base interactions energy: -1622.041 where: short stacking energy: -688.437 Base-Backbone interact. energy: 3.188 local terms energy: -803.942111 where: bonds (distance) C4'-P energy: -162.386 bonds (distance) P-C4' energy: -143.618 flat angles C4'-P-C4' energy: -191.152 flat angles P-C4'-P energy: -114.980 tors. eta vs tors. theta energy: -191.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2173.603275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.603275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.603275 (E_RNA) where: Base-Base interactions energy: -1399.547 where: short stacking energy: -625.316 Base-Backbone interact. energy: 4.058 local terms energy: -778.114502 where: bonds (distance) C4'-P energy: -166.450 bonds (distance) P-C4' energy: -165.178 flat angles C4'-P-C4' energy: -178.880 flat angles P-C4'-P energy: -97.634 tors. eta vs tors. theta energy: -169.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1712.484884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.484884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.484884 (E_RNA) where: Base-Base interactions energy: -1040.780 where: short stacking energy: -484.951 Base-Backbone interact. energy: -1.758 local terms energy: -669.947443 where: bonds (distance) C4'-P energy: -146.403 bonds (distance) P-C4' energy: -174.220 flat angles C4'-P-C4' energy: -148.940 flat angles P-C4'-P energy: -115.261 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: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1486.852206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.852206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.852206 (E_RNA) where: Base-Base interactions energy: -848.192 where: short stacking energy: -405.538 Base-Backbone interact. energy: -0.755 local terms energy: -637.905729 where: bonds (distance) C4'-P energy: -149.749 bonds (distance) P-C4' energy: -159.729 flat angles C4'-P-C4' energy: -163.133 flat angles P-C4'-P energy: -101.646 tors. eta vs tors. theta energy: -63.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1157.759907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.759907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.759907 (E_RNA) where: Base-Base interactions energy: -603.007 where: short stacking energy: -290.574 Base-Backbone interact. energy: -1.575 local terms energy: -553.178465 where: bonds (distance) C4'-P energy: -150.157 bonds (distance) P-C4' energy: -156.727 flat angles C4'-P-C4' energy: -140.102 flat angles P-C4'-P energy: -87.826 tors. eta vs tors. theta energy: -18.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -892.571816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.571816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.571816 (E_RNA) where: Base-Base interactions energy: -433.092 where: short stacking energy: -222.771 Base-Backbone interact. energy: 1.317 local terms energy: -460.796685 where: bonds (distance) C4'-P energy: -136.079 bonds (distance) P-C4' energy: -161.900 flat angles C4'-P-C4' energy: -110.936 flat angles P-C4'-P energy: -71.814 tors. eta vs tors. theta energy: 19.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -645.144235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.144235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.144235 (E_RNA) where: Base-Base interactions energy: -201.295 where: short stacking energy: -172.531 Base-Backbone interact. energy: -1.631 local terms energy: -442.217293 where: bonds (distance) C4'-P energy: -140.238 bonds (distance) P-C4' energy: -162.725 flat angles C4'-P-C4' energy: -107.717 flat angles P-C4'-P energy: -66.587 tors. eta vs tors. theta energy: 35.049 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: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2977.778693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.778693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.778693 (E_RNA) where: Base-Base interactions energy: -2013.034 where: short stacking energy: -857.793 Base-Backbone interact. energy: -1.616 local terms energy: -963.129331 where: bonds (distance) C4'-P energy: -183.455 bonds (distance) P-C4' energy: -178.353 flat angles C4'-P-C4' energy: -212.447 flat angles P-C4'-P energy: -123.206 tors. eta vs tors. theta energy: -265.668 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: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2789.981528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.981528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.981528 (E_RNA) where: Base-Base interactions energy: -1894.514 where: short stacking energy: -803.202 Base-Backbone interact. energy: -8.934 local terms energy: -886.533388 where: bonds (distance) C4'-P energy: -158.510 bonds (distance) P-C4' energy: -171.595 flat angles C4'-P-C4' energy: -189.705 flat angles P-C4'-P energy: -127.935 tors. eta vs tors. theta energy: -238.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2634.056314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.056314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.056314 (E_RNA) where: Base-Base interactions energy: -1753.631 where: short stacking energy: -762.644 Base-Backbone interact. energy: 2.845 local terms energy: -883.270259 where: bonds (distance) C4'-P energy: -159.684 bonds (distance) P-C4' energy: -167.296 flat angles C4'-P-C4' energy: -201.064 flat angles P-C4'-P energy: -131.192 tors. eta vs tors. theta energy: -224.033 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: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2437.218234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.218234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.218234 (E_RNA) where: Base-Base interactions energy: -1587.100 where: short stacking energy: -690.445 Base-Backbone interact. energy: 2.223 local terms energy: -852.341126 where: bonds (distance) C4'-P energy: -155.070 bonds (distance) P-C4' energy: -181.033 flat angles C4'-P-C4' energy: -195.600 flat angles P-C4'-P energy: -116.128 tors. eta vs tors. theta energy: -204.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2199.278107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.278107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.278107 (E_RNA) where: Base-Base interactions energy: -1443.952 where: short stacking energy: -675.449 Base-Backbone interact. energy: -0.399 local terms energy: -754.927211 where: bonds (distance) C4'-P energy: -134.748 bonds (distance) P-C4' energy: -157.774 flat angles C4'-P-C4' energy: -168.709 flat angles P-C4'-P energy: -124.258 tors. eta vs tors. theta energy: -169.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1712.752369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.752369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.752369 (E_RNA) where: Base-Base interactions energy: -1005.089 where: short stacking energy: -505.461 Base-Backbone interact. energy: -0.319 local terms energy: -707.344850 where: bonds (distance) C4'-P energy: -151.646 bonds (distance) P-C4' energy: -162.240 flat angles C4'-P-C4' energy: -150.608 flat angles P-C4'-P energy: -114.646 tors. eta vs tors. theta energy: -128.204 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: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1380.435731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.435731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.435731 (E_RNA) where: Base-Base interactions energy: -774.637 where: short stacking energy: -378.736 Base-Backbone interact. energy: 3.494 local terms energy: -609.292890 where: bonds (distance) C4'-P energy: -153.763 bonds (distance) P-C4' energy: -176.027 flat angles C4'-P-C4' energy: -146.402 flat angles P-C4'-P energy: -84.462 tors. eta vs tors. theta energy: -48.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1260.160075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.160075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.160075 (E_RNA) where: Base-Base interactions energy: -707.737 where: short stacking energy: -349.528 Base-Backbone interact. energy: -1.319 local terms energy: -551.103993 where: bonds (distance) C4'-P energy: -144.546 bonds (distance) P-C4' energy: -146.704 flat angles C4'-P-C4' energy: -138.724 flat angles P-C4'-P energy: -84.629 tors. eta vs tors. theta energy: -36.501 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: 139 Temperature: 1.300000 Total energy: -912.905576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.905576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.905576 (E_RNA) where: Base-Base interactions energy: -390.780 where: short stacking energy: -233.495 Base-Backbone interact. energy: -3.531 local terms energy: -518.594448 where: bonds (distance) C4'-P energy: -129.811 bonds (distance) P-C4' energy: -153.809 flat angles C4'-P-C4' energy: -146.513 flat angles P-C4'-P energy: -81.780 tors. eta vs tors. theta energy: -6.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -644.539306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.539306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.539306 (E_RNA) where: Base-Base interactions energy: -221.755 where: short stacking energy: -168.941 Base-Backbone interact. energy: 1.880 local terms energy: -424.664172 where: bonds (distance) C4'-P energy: -135.132 bonds (distance) P-C4' energy: -155.802 flat angles C4'-P-C4' energy: -108.702 flat angles P-C4'-P energy: -73.573 tors. eta vs tors. theta energy: 48.545 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: 1, replica: 9 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3006.412114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.412114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.412114 (E_RNA) where: Base-Base interactions energy: -2031.017 where: short stacking energy: -865.897 Base-Backbone interact. energy: -2.262 local terms energy: -973.133822 where: bonds (distance) C4'-P energy: -169.713 bonds (distance) P-C4' energy: -174.361 flat angles C4'-P-C4' energy: -219.176 flat angles P-C4'-P energy: -137.244 tors. eta vs tors. theta energy: -272.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2778.022701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.022701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.022701 (E_RNA) where: Base-Base interactions energy: -1886.286 where: short stacking energy: -760.950 Base-Backbone interact. energy: -6.372 local terms energy: -885.364793 where: bonds (distance) C4'-P energy: -170.426 bonds (distance) P-C4' energy: -193.036 flat angles C4'-P-C4' energy: -192.484 flat angles P-C4'-P energy: -105.582 tors. eta vs tors. theta energy: -223.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2613.134453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.134453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.134453 (E_RNA) where: Base-Base interactions energy: -1758.837 where: short stacking energy: -752.568 Base-Backbone interact. energy: 1.445 local terms energy: -855.742405 where: bonds (distance) C4'-P energy: -163.444 bonds (distance) P-C4' energy: -166.150 flat angles C4'-P-C4' energy: -179.230 flat angles P-C4'-P energy: -137.660 tors. eta vs tors. theta energy: -209.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2463.395909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.395909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.395909 (E_RNA) where: Base-Base interactions energy: -1624.124 where: short stacking energy: -692.457 Base-Backbone interact. energy: -1.496 local terms energy: -837.775686 where: bonds (distance) C4'-P energy: -136.383 bonds (distance) P-C4' energy: -169.069 flat angles C4'-P-C4' energy: -203.227 flat angles P-C4'-P energy: -133.339 tors. eta vs tors. theta energy: -195.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2172.680331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.680331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.680331 (E_RNA) where: Base-Base interactions energy: -1424.991 where: short stacking energy: -618.192 Base-Backbone interact. energy: 6.562 local terms energy: -754.251471 where: bonds (distance) C4'-P energy: -157.593 bonds (distance) P-C4' energy: -159.648 flat angles C4'-P-C4' energy: -161.648 flat angles P-C4'-P energy: -102.609 tors. eta vs tors. theta energy: -172.753 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: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1731.945759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.945759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.945759 (E_RNA) where: Base-Base interactions energy: -1044.649 where: short stacking energy: -504.135 Base-Backbone interact. energy: -0.989 local terms energy: -686.307559 where: bonds (distance) C4'-P energy: -155.759 bonds (distance) P-C4' energy: -167.450 flat angles C4'-P-C4' energy: -160.047 flat angles P-C4'-P energy: -99.082 tors. eta vs tors. theta energy: -103.970 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: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1338.300962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.300962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.300962 (E_RNA) where: Base-Base interactions energy: -729.098 where: short stacking energy: -358.740 Base-Backbone interact. energy: 0.912 local terms energy: -610.115715 where: bonds (distance) C4'-P energy: -154.092 bonds (distance) P-C4' energy: -155.014 flat angles C4'-P-C4' energy: -157.984 flat angles P-C4'-P energy: -102.129 tors. eta vs tors. theta energy: -40.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1264.714734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.714734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.714734 (E_RNA) where: Base-Base interactions energy: -701.946 where: short stacking energy: -349.680 Base-Backbone interact. energy: 4.412 local terms energy: -567.180792 where: bonds (distance) C4'-P energy: -138.788 bonds (distance) P-C4' energy: -150.729 flat angles C4'-P-C4' energy: -142.100 flat angles P-C4'-P energy: -99.513 tors. eta vs tors. theta energy: -36.051 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: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1011.163001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.163001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.163001 (E_RNA) where: Base-Base interactions energy: -486.023 where: short stacking energy: -263.517 Base-Backbone interact. energy: 3.860 local terms energy: -529.000306 where: bonds (distance) C4'-P energy: -161.735 bonds (distance) P-C4' energy: -175.653 flat angles C4'-P-C4' energy: -108.280 flat angles P-C4'-P energy: -82.879 tors. eta vs tors. theta energy: -0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -654.660994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.660994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.660994 (E_RNA) where: Base-Base interactions energy: -221.555 where: short stacking energy: -151.759 Base-Backbone interact. energy: -1.697 local terms energy: -431.409252 where: bonds (distance) C4'-P energy: -168.178 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -110.415 flat angles P-C4'-P energy: -65.338 tors. eta vs tors. theta energy: 49.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2983.083199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.083199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.083199 (E_RNA) where: Base-Base interactions energy: -2040.089 where: short stacking energy: -858.878 Base-Backbone interact. energy: -2.330 local terms energy: -940.663836 where: bonds (distance) C4'-P energy: -174.535 bonds (distance) P-C4' energy: -169.446 flat angles C4'-P-C4' energy: -202.324 flat angles P-C4'-P energy: -134.224 tors. eta vs tors. theta energy: -260.134 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: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2723.034823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.034823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.034823 (E_RNA) where: Base-Base interactions energy: -1808.281 where: short stacking energy: -781.262 Base-Backbone interact. energy: -1.682 local terms energy: -913.072089 where: bonds (distance) C4'-P energy: -166.304 bonds (distance) P-C4' energy: -193.784 flat angles C4'-P-C4' energy: -190.944 flat angles P-C4'-P energy: -128.905 tors. eta vs tors. theta energy: -233.135 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: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2652.904871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.904871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.904871 (E_RNA) where: Base-Base interactions energy: -1734.563 where: short stacking energy: -761.553 Base-Backbone interact. energy: -1.956 local terms energy: -916.385699 where: bonds (distance) C4'-P energy: -178.591 bonds (distance) P-C4' energy: -183.088 flat angles C4'-P-C4' energy: -201.471 flat angles P-C4'-P energy: -139.685 tors. eta vs tors. theta energy: -213.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2488.237597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.237597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.237597 (E_RNA) where: Base-Base interactions energy: -1645.140 where: short stacking energy: -700.106 Base-Backbone interact. energy: -1.578 local terms energy: -841.519300 where: bonds (distance) C4'-P energy: -178.303 bonds (distance) P-C4' energy: -170.012 flat angles C4'-P-C4' energy: -171.367 flat angles P-C4'-P energy: -122.396 tors. eta vs tors. theta energy: -199.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2186.154823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.154823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.154823 (E_RNA) where: Base-Base interactions energy: -1426.777 where: short stacking energy: -650.233 Base-Backbone interact. energy: -2.486 local terms energy: -756.892070 where: bonds (distance) C4'-P energy: -136.704 bonds (distance) P-C4' energy: -164.214 flat angles C4'-P-C4' energy: -181.903 flat angles P-C4'-P energy: -92.582 tors. eta vs tors. theta energy: -181.491 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: 6, replica: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1776.580884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.580884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.580884 (E_RNA) where: Base-Base interactions energy: -1099.180 where: short stacking energy: -511.944 Base-Backbone interact. energy: 2.624 local terms energy: -680.025008 where: bonds (distance) C4'-P energy: -161.543 bonds (distance) P-C4' energy: -156.026 flat angles C4'-P-C4' energy: -171.124 flat angles P-C4'-P energy: -95.554 tors. eta vs tors. theta energy: -95.778 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: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1325.805186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.805186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.805186 (E_RNA) where: Base-Base interactions energy: -706.146 where: short stacking energy: -404.239 Base-Backbone interact. energy: -2.191 local terms energy: -617.469027 where: bonds (distance) C4'-P energy: -131.402 bonds (distance) P-C4' energy: -162.053 flat angles C4'-P-C4' energy: -145.923 flat angles P-C4'-P energy: -99.544 tors. eta vs tors. theta energy: -78.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1194.533631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.533631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.533631 (E_RNA) where: Base-Base interactions energy: -687.904 where: short stacking energy: -318.242 Base-Backbone interact. energy: 2.989 local terms energy: -509.618204 where: bonds (distance) C4'-P energy: -125.807 bonds (distance) P-C4' energy: -141.697 flat angles C4'-P-C4' energy: -145.090 flat angles P-C4'-P energy: -81.070 tors. eta vs tors. theta energy: -15.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -996.843055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.843055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.843055 (E_RNA) where: Base-Base interactions energy: -505.083 where: short stacking energy: -270.423 Base-Backbone interact. energy: -1.094 local terms energy: -490.665261 where: bonds (distance) C4'-P energy: -143.874 bonds (distance) P-C4' energy: -157.670 flat angles C4'-P-C4' energy: -131.142 flat angles P-C4'-P energy: -59.514 tors. eta vs tors. theta energy: 1.534 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: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -685.143298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.143298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.143298 (E_RNA) where: Base-Base interactions energy: -214.396 where: short stacking energy: -180.443 Base-Backbone interact. energy: -1.625 local terms energy: -469.122809 where: bonds (distance) C4'-P energy: -133.180 bonds (distance) P-C4' energy: -149.445 flat angles C4'-P-C4' energy: -140.403 flat angles P-C4'-P energy: -79.037 tors. eta vs tors. theta energy: 32.942 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: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2946.508437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.508437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.508437 (E_RNA) where: Base-Base interactions energy: -1994.109 where: short stacking energy: -874.537 Base-Backbone interact. energy: -3.547 local terms energy: -948.852235 where: bonds (distance) C4'-P energy: -145.379 bonds (distance) P-C4' energy: -179.326 flat angles C4'-P-C4' energy: -215.892 flat angles P-C4'-P energy: -138.333 tors. eta vs tors. theta energy: -269.922 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: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2787.392101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.392101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.392101 (E_RNA) where: Base-Base interactions energy: -1892.168 where: short stacking energy: -795.462 Base-Backbone interact. energy: -1.239 local terms energy: -893.984240 where: bonds (distance) C4'-P energy: -174.242 bonds (distance) P-C4' energy: -158.266 flat angles C4'-P-C4' energy: -204.251 flat angles P-C4'-P energy: -114.984 tors. eta vs tors. theta energy: -242.241 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: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2655.623904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.623904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.623904 (E_RNA) where: Base-Base interactions energy: -1749.620 where: short stacking energy: -769.548 Base-Backbone interact. energy: -2.105 local terms energy: -903.898547 where: bonds (distance) C4'-P energy: -164.049 bonds (distance) P-C4' energy: -180.831 flat angles C4'-P-C4' energy: -200.437 flat angles P-C4'-P energy: -122.997 tors. eta vs tors. theta energy: -235.585 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: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2423.863475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.863475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.863475 (E_RNA) where: Base-Base interactions energy: -1610.171 where: short stacking energy: -681.485 Base-Backbone interact. energy: -3.866 local terms energy: -809.826680 where: bonds (distance) C4'-P energy: -157.483 bonds (distance) P-C4' energy: -174.410 flat angles C4'-P-C4' energy: -181.501 flat angles P-C4'-P energy: -115.953 tors. eta vs tors. theta energy: -180.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2154.959666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.959666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.959666 (E_RNA) where: Base-Base interactions energy: -1399.704 where: short stacking energy: -602.898 Base-Backbone interact. energy: 8.215 local terms energy: -763.470390 where: bonds (distance) C4'-P energy: -163.611 bonds (distance) P-C4' energy: -178.947 flat angles C4'-P-C4' energy: -165.600 flat angles P-C4'-P energy: -104.931 tors. eta vs tors. theta energy: -150.381 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: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1930.680857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.680857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.680857 (E_RNA) where: Base-Base interactions energy: -1168.415 where: short stacking energy: -539.251 Base-Backbone interact. energy: -2.845 local terms energy: -759.420774 where: bonds (distance) C4'-P energy: -160.153 bonds (distance) P-C4' energy: -166.260 flat angles C4'-P-C4' energy: -175.888 flat angles P-C4'-P energy: -113.328 tors. eta vs tors. theta energy: -143.792 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: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1416.715464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.715464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.715464 (E_RNA) where: Base-Base interactions energy: -794.266 where: short stacking energy: -445.024 Base-Backbone interact. energy: -0.151 local terms energy: -622.298381 where: bonds (distance) C4'-P energy: -137.591 bonds (distance) P-C4' energy: -161.467 flat angles C4'-P-C4' energy: -146.025 flat angles P-C4'-P energy: -88.320 tors. eta vs tors. theta energy: -88.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1231.045887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.045887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.045887 (E_RNA) where: Base-Base interactions energy: -684.971 where: short stacking energy: -327.533 Base-Backbone interact. energy: -1.311 local terms energy: -544.764291 where: bonds (distance) C4'-P energy: -147.308 bonds (distance) P-C4' energy: -154.482 flat angles C4'-P-C4' energy: -126.236 flat angles P-C4'-P energy: -96.380 tors. eta vs tors. theta energy: -20.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -980.471776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.471776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.471776 (E_RNA) where: Base-Base interactions energy: -445.372 where: short stacking energy: -248.263 Base-Backbone interact. energy: -0.374 local terms energy: -534.725769 where: bonds (distance) C4'-P energy: -136.035 bonds (distance) P-C4' energy: -172.125 flat angles C4'-P-C4' energy: -143.234 flat angles P-C4'-P energy: -91.872 tors. eta vs tors. theta energy: 8.539 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: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -680.224970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.224970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.224970 (E_RNA) where: Base-Base interactions energy: -249.853 where: short stacking energy: -211.128 Base-Backbone interact. energy: 8.572 local terms energy: -438.943507 where: bonds (distance) C4'-P energy: -138.510 bonds (distance) P-C4' energy: -132.232 flat angles C4'-P-C4' energy: -105.120 flat angles P-C4'-P energy: -89.669 tors. eta vs tors. theta energy: 26.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2996.057909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.057909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.057909 (E_RNA) where: Base-Base interactions energy: -2007.119 where: short stacking energy: -869.120 Base-Backbone interact. energy: -5.149 local terms energy: -983.789748 where: bonds (distance) C4'-P energy: -191.622 bonds (distance) P-C4' energy: -172.451 flat angles C4'-P-C4' energy: -210.906 flat angles P-C4'-P energy: -141.692 tors. eta vs tors. theta energy: -267.118 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: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2746.199676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.199676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.199676 (E_RNA) where: Base-Base interactions energy: -1837.088 where: short stacking energy: -786.617 Base-Backbone interact. energy: -6.638 local terms energy: -902.473629 where: bonds (distance) C4'-P energy: -180.625 bonds (distance) P-C4' energy: -182.908 flat angles C4'-P-C4' energy: -193.594 flat angles P-C4'-P energy: -115.449 tors. eta vs tors. theta energy: -229.897 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: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2627.297555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.297555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.297555 (E_RNA) where: Base-Base interactions energy: -1734.358 where: short stacking energy: -720.995 Base-Backbone interact. energy: -2.759 local terms energy: -890.179913 where: bonds (distance) C4'-P energy: -171.386 bonds (distance) P-C4' energy: -180.473 flat angles C4'-P-C4' energy: -197.699 flat angles P-C4'-P energy: -126.690 tors. eta vs tors. theta energy: -213.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2407.274008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.274008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.274008 (E_RNA) where: Base-Base interactions energy: -1596.285 where: short stacking energy: -685.452 Base-Backbone interact. energy: 7.670 local terms energy: -818.659459 where: bonds (distance) C4'-P energy: -166.675 bonds (distance) P-C4' energy: -166.296 flat angles C4'-P-C4' energy: -184.297 flat angles P-C4'-P energy: -127.456 tors. eta vs tors. theta energy: -173.935 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: 143 Temperature: 1.100000 Total energy: -2161.162792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.162792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.162792 (E_RNA) where: Base-Base interactions energy: -1409.420 where: short stacking energy: -627.333 Base-Backbone interact. energy: -1.533 local terms energy: -750.208896 where: bonds (distance) C4'-P energy: -162.327 bonds (distance) P-C4' energy: -152.642 flat angles C4'-P-C4' energy: -154.589 flat angles P-C4'-P energy: -114.378 tors. eta vs tors. theta energy: -166.272 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: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1863.420033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.420033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.420033 (E_RNA) where: Base-Base interactions energy: -1165.932 where: short stacking energy: -500.468 Base-Backbone interact. energy: -0.709 local terms energy: -696.778832 where: bonds (distance) C4'-P energy: -142.347 bonds (distance) P-C4' energy: -167.836 flat angles C4'-P-C4' energy: -174.713 flat angles P-C4'-P energy: -106.597 tors. eta vs tors. theta energy: -105.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1412.302374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.302374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.302374 (E_RNA) where: Base-Base interactions energy: -809.782 where: short stacking energy: -448.697 Base-Backbone interact. energy: -1.405 local terms energy: -601.115585 where: bonds (distance) C4'-P energy: -140.879 bonds (distance) P-C4' energy: -160.931 flat angles C4'-P-C4' energy: -143.378 flat angles P-C4'-P energy: -78.611 tors. eta vs tors. theta energy: -77.317 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: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1328.955029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.955029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.955029 (E_RNA) where: Base-Base interactions energy: -733.430 where: short stacking energy: -352.823 Base-Backbone interact. energy: 1.641 local terms energy: -597.165752 where: bonds (distance) C4'-P energy: -163.696 bonds (distance) P-C4' energy: -173.682 flat angles C4'-P-C4' energy: -145.001 flat angles P-C4'-P energy: -79.169 tors. eta vs tors. theta energy: -35.617 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: 143 Temperature: 1.300000 Total energy: -1074.009414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.009414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.009414 (E_RNA) where: Base-Base interactions energy: -560.894 where: short stacking energy: -305.618 Base-Backbone interact. energy: 3.439 local terms energy: -516.554764 where: bonds (distance) C4'-P energy: -135.384 bonds (distance) P-C4' energy: -151.575 flat angles C4'-P-C4' energy: -158.134 flat angles P-C4'-P energy: -71.431 tors. eta vs tors. theta energy: -0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -649.828618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.828618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.828618 (E_RNA) where: Base-Base interactions energy: -202.440 where: short stacking energy: -170.198 Base-Backbone interact. energy: 3.704 local terms energy: -451.092748 where: bonds (distance) C4'-P energy: -129.233 bonds (distance) P-C4' energy: -137.130 flat angles C4'-P-C4' energy: -139.028 flat angles P-C4'-P energy: -78.615 tors. eta vs tors. theta energy: 32.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2956.019091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.019091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.019091 (E_RNA) where: Base-Base interactions energy: -1977.833 where: short stacking energy: -835.018 Base-Backbone interact. energy: 1.547 local terms energy: -979.733238 where: bonds (distance) C4'-P energy: -188.155 bonds (distance) P-C4' energy: -191.958 flat angles C4'-P-C4' energy: -202.334 flat angles P-C4'-P energy: -137.782 tors. eta vs tors. theta energy: -259.505 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: 2, replica: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2787.037296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.037296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.037296 (E_RNA) where: Base-Base interactions energy: -1862.907 where: short stacking energy: -778.244 Base-Backbone interact. energy: -6.015 local terms energy: -918.115660 where: bonds (distance) C4'-P energy: -165.318 bonds (distance) P-C4' energy: -183.252 flat angles C4'-P-C4' energy: -197.575 flat angles P-C4'-P energy: -134.692 tors. eta vs tors. theta energy: -237.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2649.466319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.466319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.466319 (E_RNA) where: Base-Base interactions energy: -1770.952 where: short stacking energy: -767.826 Base-Backbone interact. energy: 2.963 local terms energy: -881.476522 where: bonds (distance) C4'-P energy: -172.580 bonds (distance) P-C4' energy: -167.189 flat angles C4'-P-C4' energy: -196.321 flat angles P-C4'-P energy: -130.343 tors. eta vs tors. theta energy: -215.045 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: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2460.718818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.718818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.718818 (E_RNA) where: Base-Base interactions energy: -1644.150 where: short stacking energy: -712.650 Base-Backbone interact. energy: 3.709 local terms energy: -820.277123 where: bonds (distance) C4'-P energy: -172.941 bonds (distance) P-C4' energy: -159.255 flat angles C4'-P-C4' energy: -183.780 flat angles P-C4'-P energy: -112.849 tors. eta vs tors. theta energy: -191.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2144.339167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.339167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.339167 (E_RNA) where: Base-Base interactions energy: -1362.783 where: short stacking energy: -622.830 Base-Backbone interact. energy: 0.153 local terms energy: -781.709501 where: bonds (distance) C4'-P energy: -183.990 bonds (distance) P-C4' energy: -152.329 flat angles C4'-P-C4' energy: -178.803 flat angles P-C4'-P energy: -108.334 tors. eta vs tors. theta energy: -158.254 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: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1922.257663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.257663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.257663 (E_RNA) where: Base-Base interactions energy: -1185.785 where: short stacking energy: -579.790 Base-Backbone interact. energy: -0.131 local terms energy: -736.341746 where: bonds (distance) C4'-P energy: -153.341 bonds (distance) P-C4' energy: -180.382 flat angles C4'-P-C4' energy: -176.327 flat angles P-C4'-P energy: -100.038 tors. eta vs tors. theta energy: -126.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1433.490242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.490242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.490242 (E_RNA) where: Base-Base interactions energy: -783.196 where: short stacking energy: -366.358 Base-Backbone interact. energy: -1.420 local terms energy: -648.873729 where: bonds (distance) C4'-P energy: -138.148 bonds (distance) P-C4' energy: -165.449 flat angles C4'-P-C4' energy: -160.729 flat angles P-C4'-P energy: -110.919 tors. eta vs tors. theta energy: -73.629 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: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1294.450017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.450017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.450017 (E_RNA) where: Base-Base interactions energy: -760.701 where: short stacking energy: -360.961 Base-Backbone interact. energy: 0.232 local terms energy: -533.980531 where: bonds (distance) C4'-P energy: -157.609 bonds (distance) P-C4' energy: -133.507 flat angles C4'-P-C4' energy: -147.161 flat angles P-C4'-P energy: -65.219 tors. eta vs tors. theta energy: -30.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -998.033553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.033553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.033553 (E_RNA) where: Base-Base interactions energy: -491.221 where: short stacking energy: -277.175 Base-Backbone interact. energy: -5.180 local terms energy: -501.632279 where: bonds (distance) C4'-P energy: -151.102 bonds (distance) P-C4' energy: -157.993 flat angles C4'-P-C4' energy: -117.694 flat angles P-C4'-P energy: -83.520 tors. eta vs tors. theta energy: 8.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -657.576836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.576836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.576836 (E_RNA) where: Base-Base interactions energy: -234.107 where: short stacking energy: -153.966 Base-Backbone interact. energy: -1.243 local terms energy: -422.226495 where: bonds (distance) C4'-P energy: -131.758 bonds (distance) P-C4' energy: -165.538 flat angles C4'-P-C4' energy: -92.622 flat angles P-C4'-P energy: -66.067 tors. eta vs tors. theta energy: 33.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2975.653739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.653739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.653739 (E_RNA) where: Base-Base interactions energy: -2006.150 where: short stacking energy: -840.157 Base-Backbone interact. energy: -3.967 local terms energy: -965.536417 where: bonds (distance) C4'-P energy: -175.140 bonds (distance) P-C4' energy: -187.071 flat angles C4'-P-C4' energy: -198.563 flat angles P-C4'-P energy: -138.035 tors. eta vs tors. theta energy: -266.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2794.834779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.834779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.834779 (E_RNA) where: Base-Base interactions energy: -1904.757 where: short stacking energy: -780.687 Base-Backbone interact. energy: -5.493 local terms energy: -884.584597 where: bonds (distance) C4'-P energy: -174.016 bonds (distance) P-C4' energy: -165.027 flat angles C4'-P-C4' energy: -199.527 flat angles P-C4'-P energy: -124.382 tors. eta vs tors. theta energy: -221.632 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: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2617.426329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.426329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.426329 (E_RNA) where: Base-Base interactions energy: -1744.625 where: short stacking energy: -759.089 Base-Backbone interact. energy: -0.184 local terms energy: -872.617022 where: bonds (distance) C4'-P energy: -168.772 bonds (distance) P-C4' energy: -163.225 flat angles C4'-P-C4' energy: -195.612 flat angles P-C4'-P energy: -128.341 tors. eta vs tors. theta energy: -216.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2464.898751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.898751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.898751 (E_RNA) where: Base-Base interactions energy: -1622.368 where: short stacking energy: -729.577 Base-Backbone interact. energy: -0.844 local terms energy: -841.686330 where: bonds (distance) C4'-P energy: -154.245 bonds (distance) P-C4' energy: -177.170 flat angles C4'-P-C4' energy: -189.570 flat angles P-C4'-P energy: -126.076 tors. eta vs tors. theta energy: -194.625 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: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2093.562773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.562773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.562773 (E_RNA) where: Base-Base interactions energy: -1352.596 where: short stacking energy: -584.223 Base-Backbone interact. energy: -2.876 local terms energy: -738.090863 where: bonds (distance) C4'-P energy: -156.793 bonds (distance) P-C4' energy: -155.151 flat angles C4'-P-C4' energy: -168.931 flat angles P-C4'-P energy: -102.506 tors. eta vs tors. theta energy: -154.711 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: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1920.527141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.527141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.527141 (E_RNA) where: Base-Base interactions energy: -1218.277 where: short stacking energy: -547.644 Base-Backbone interact. energy: -0.770 local terms energy: -701.479807 where: bonds (distance) C4'-P energy: -140.341 bonds (distance) P-C4' energy: -159.392 flat angles C4'-P-C4' energy: -159.473 flat angles P-C4'-P energy: -104.733 tors. eta vs tors. theta energy: -137.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1450.594197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.594197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.594197 (E_RNA) where: Base-Base interactions energy: -818.582 where: short stacking energy: -411.984 Base-Backbone interact. energy: 1.387 local terms energy: -633.399227 where: bonds (distance) C4'-P energy: -160.137 bonds (distance) P-C4' energy: -147.869 flat angles C4'-P-C4' energy: -137.848 flat angles P-C4'-P energy: -100.187 tors. eta vs tors. theta energy: -87.358 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: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1343.168504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.168504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.168504 (E_RNA) where: Base-Base interactions energy: -782.894 where: short stacking energy: -352.862 Base-Backbone interact. energy: 0.080 local terms energy: -560.354131 where: bonds (distance) C4'-P energy: -130.362 bonds (distance) P-C4' energy: -151.290 flat angles C4'-P-C4' energy: -154.328 flat angles P-C4'-P energy: -83.995 tors. eta vs tors. theta energy: -40.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1059.989872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.989872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.989872 (E_RNA) where: Base-Base interactions energy: -553.343 where: short stacking energy: -279.197 Base-Backbone interact. energy: 1.421 local terms energy: -508.067729 where: bonds (distance) C4'-P energy: -154.437 bonds (distance) P-C4' energy: -162.746 flat angles C4'-P-C4' energy: -115.708 flat angles P-C4'-P energy: -63.250 tors. eta vs tors. theta energy: -11.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -661.838161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.838161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.838161 (E_RNA) where: Base-Base interactions energy: -215.213 where: short stacking energy: -184.244 Base-Backbone interact. energy: 5.472 local terms energy: -452.097856 where: bonds (distance) C4'-P energy: -145.293 bonds (distance) P-C4' energy: -155.610 flat angles C4'-P-C4' energy: -108.208 flat angles P-C4'-P energy: -89.418 tors. eta vs tors. theta energy: 46.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2936.645537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.645537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.645537 (E_RNA) where: Base-Base interactions energy: -1982.193 where: short stacking energy: -808.500 Base-Backbone interact. energy: -8.146 local terms energy: -946.307174 where: bonds (distance) C4'-P energy: -184.970 bonds (distance) P-C4' energy: -180.863 flat angles C4'-P-C4' energy: -197.895 flat angles P-C4'-P energy: -122.899 tors. eta vs tors. theta energy: -259.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2760.910564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.910564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.910564 (E_RNA) where: Base-Base interactions energy: -1886.593 where: short stacking energy: -787.417 Base-Backbone interact. energy: 5.468 local terms energy: -879.784957 where: bonds (distance) C4'-P energy: -153.218 bonds (distance) P-C4' energy: -169.221 flat angles C4'-P-C4' energy: -203.600 flat angles P-C4'-P energy: -129.181 tors. eta vs tors. theta energy: -224.565 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: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2693.347512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.347512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.347512 (E_RNA) where: Base-Base interactions energy: -1796.208 where: short stacking energy: -792.868 Base-Backbone interact. energy: -2.506 local terms energy: -894.633630 where: bonds (distance) C4'-P energy: -160.826 bonds (distance) P-C4' energy: -170.178 flat angles C4'-P-C4' energy: -192.254 flat angles P-C4'-P energy: -138.505 tors. eta vs tors. theta energy: -232.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2492.451397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.451397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.451397 (E_RNA) where: Base-Base interactions energy: -1633.554 where: short stacking energy: -705.491 Base-Backbone interact. energy: -2.874 local terms energy: -856.023211 where: bonds (distance) C4'-P energy: -177.778 bonds (distance) P-C4' energy: -165.111 flat angles C4'-P-C4' energy: -197.101 flat angles P-C4'-P energy: -119.370 tors. eta vs tors. theta energy: -196.663 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: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2121.029693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.029693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.029693 (E_RNA) where: Base-Base interactions energy: -1338.528 where: short stacking energy: -604.945 Base-Backbone interact. energy: 1.074 local terms energy: -783.574967 where: bonds (distance) C4'-P energy: -170.331 bonds (distance) P-C4' energy: -158.289 flat angles C4'-P-C4' energy: -180.722 flat angles P-C4'-P energy: -124.418 tors. eta vs tors. theta energy: -149.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1920.747237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.747237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.747237 (E_RNA) where: Base-Base interactions energy: -1230.979 where: short stacking energy: -574.849 Base-Backbone interact. energy: -0.221 local terms energy: -689.547310 where: bonds (distance) C4'-P energy: -153.159 bonds (distance) P-C4' energy: -162.535 flat angles C4'-P-C4' energy: -147.153 flat angles P-C4'-P energy: -94.501 tors. eta vs tors. theta energy: -132.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1421.586786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.586786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.586786 (E_RNA) where: Base-Base interactions energy: -799.913 where: short stacking energy: -385.054 Base-Backbone interact. energy: -1.975 local terms energy: -619.698386 where: bonds (distance) C4'-P energy: -156.562 bonds (distance) P-C4' energy: -150.492 flat angles C4'-P-C4' energy: -162.274 flat angles P-C4'-P energy: -108.688 tors. eta vs tors. theta energy: -41.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1364.364694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.364694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.364694 (E_RNA) where: Base-Base interactions energy: -817.471 where: short stacking energy: -371.982 Base-Backbone interact. energy: -2.614 local terms energy: -544.279740 where: bonds (distance) C4'-P energy: -134.454 bonds (distance) P-C4' energy: -168.917 flat angles C4'-P-C4' energy: -136.348 flat angles P-C4'-P energy: -75.250 tors. eta vs tors. theta energy: -29.311 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: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1056.910752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.910752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.910752 (E_RNA) where: Base-Base interactions energy: -540.500 where: short stacking energy: -292.423 Base-Backbone interact. energy: 0.192 local terms energy: -516.602563 where: bonds (distance) C4'-P energy: -153.494 bonds (distance) P-C4' energy: -136.412 flat angles C4'-P-C4' energy: -121.274 flat angles P-C4'-P energy: -94.086 tors. eta vs tors. theta energy: -11.337 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: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -662.718882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.718882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.718882 (E_RNA) where: Base-Base interactions energy: -199.673 where: short stacking energy: -131.479 Base-Backbone interact. energy: 1.947 local terms energy: -464.992440 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -167.955 flat angles C4'-P-C4' energy: -118.332 flat angles P-C4'-P energy: -84.181 tors. eta vs tors. theta energy: 43.106 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: 147 Temperature: 0.900000 Total energy: -2924.829444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.829444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.829444 (E_RNA) where: Base-Base interactions energy: -1946.277 where: short stacking energy: -832.125 Base-Backbone interact. energy: -5.366 local terms energy: -973.186408 where: bonds (distance) C4'-P energy: -186.650 bonds (distance) P-C4' energy: -198.337 flat angles C4'-P-C4' energy: -205.077 flat angles P-C4'-P energy: -128.550 tors. eta vs tors. theta energy: -254.572 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: 6 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2770.729294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.729294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.729294 (E_RNA) where: Base-Base interactions energy: -1881.032 where: short stacking energy: -756.295 Base-Backbone interact. energy: -1.765 local terms energy: -887.931927 where: bonds (distance) C4'-P energy: -174.793 bonds (distance) P-C4' energy: -180.504 flat angles C4'-P-C4' energy: -181.547 flat angles P-C4'-P energy: -116.696 tors. eta vs tors. theta energy: -234.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2645.166521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.166521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.166521 (E_RNA) where: Base-Base interactions energy: -1763.966 where: short stacking energy: -752.633 Base-Backbone interact. energy: -2.695 local terms energy: -878.505939 where: bonds (distance) C4'-P energy: -167.840 bonds (distance) P-C4' energy: -170.406 flat angles C4'-P-C4' energy: -185.934 flat angles P-C4'-P energy: -137.560 tors. eta vs tors. theta energy: -216.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2407.462826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.462826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.462826 (E_RNA) where: Base-Base interactions energy: -1617.536 where: short stacking energy: -711.487 Base-Backbone interact. energy: 2.895 local terms energy: -792.821369 where: bonds (distance) C4'-P energy: -153.184 bonds (distance) P-C4' energy: -158.256 flat angles C4'-P-C4' energy: -182.180 flat angles P-C4'-P energy: -116.710 tors. eta vs tors. theta energy: -182.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2182.483116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.483116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.483116 (E_RNA) where: Base-Base interactions energy: -1394.551 where: short stacking energy: -639.940 Base-Backbone interact. energy: 7.253 local terms energy: -795.185361 where: bonds (distance) C4'-P energy: -172.666 bonds (distance) P-C4' energy: -171.802 flat angles C4'-P-C4' energy: -180.507 flat angles P-C4'-P energy: -100.878 tors. eta vs tors. theta energy: -169.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1957.543423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.543423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.543423 (E_RNA) where: Base-Base interactions energy: -1262.577 where: short stacking energy: -547.686 Base-Backbone interact. energy: 0.159 local terms energy: -695.125758 where: bonds (distance) C4'-P energy: -156.751 bonds (distance) P-C4' energy: -157.926 flat angles C4'-P-C4' energy: -156.513 flat angles P-C4'-P energy: -100.639 tors. eta vs tors. theta energy: -123.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1467.699109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.699109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.699109 (E_RNA) where: Base-Base interactions energy: -803.290 where: short stacking energy: -403.131 Base-Backbone interact. energy: 1.278 local terms energy: -665.687123 where: bonds (distance) C4'-P energy: -153.582 bonds (distance) P-C4' energy: -171.820 flat angles C4'-P-C4' energy: -161.514 flat angles P-C4'-P energy: -106.016 tors. eta vs tors. theta energy: -72.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1384.285436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.285436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.285436 (E_RNA) where: Base-Base interactions energy: -815.241 where: short stacking energy: -370.046 Base-Backbone interact. energy: 2.466 local terms energy: -571.510224 where: bonds (distance) C4'-P energy: -133.792 bonds (distance) P-C4' energy: -179.171 flat angles C4'-P-C4' energy: -124.799 flat angles P-C4'-P energy: -90.630 tors. eta vs tors. theta energy: -43.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1065.352656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.352656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.352656 (E_RNA) where: Base-Base interactions energy: -500.197 where: short stacking energy: -286.625 Base-Backbone interact. energy: 2.036 local terms energy: -567.191922 where: bonds (distance) C4'-P energy: -163.752 bonds (distance) P-C4' energy: -146.007 flat angles C4'-P-C4' energy: -149.145 flat angles P-C4'-P energy: -95.695 tors. eta vs tors. theta energy: -12.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -650.550355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.550355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.550355 (E_RNA) where: Base-Base interactions energy: -192.181 where: short stacking energy: -151.332 Base-Backbone interact. energy: 3.334 local terms energy: -461.703006 where: bonds (distance) C4'-P energy: -141.664 bonds (distance) P-C4' energy: -172.966 flat angles C4'-P-C4' energy: -115.601 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: 41.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2964.966850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.966850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.966850 (E_RNA) where: Base-Base interactions energy: -1979.915 where: short stacking energy: -861.428 Base-Backbone interact. energy: -0.766 local terms energy: -984.285732 where: bonds (distance) C4'-P energy: -193.329 bonds (distance) P-C4' energy: -185.821 flat angles C4'-P-C4' energy: -213.371 flat angles P-C4'-P energy: -135.465 tors. eta vs tors. theta energy: -256.299 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: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2781.131918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.131918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.131918 (E_RNA) where: Base-Base interactions energy: -1864.870 where: short stacking energy: -771.327 Base-Backbone interact. energy: -7.543 local terms energy: -908.718947 where: bonds (distance) C4'-P energy: -182.343 bonds (distance) P-C4' energy: -180.299 flat angles C4'-P-C4' energy: -200.337 flat angles P-C4'-P energy: -127.433 tors. eta vs tors. theta energy: -218.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2708.803823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.803823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.803823 (E_RNA) where: Base-Base interactions energy: -1806.726 where: short stacking energy: -790.981 Base-Backbone interact. energy: -1.935 local terms energy: -900.142717 where: bonds (distance) C4'-P energy: -172.044 bonds (distance) P-C4' energy: -195.680 flat angles C4'-P-C4' energy: -184.264 flat angles P-C4'-P energy: -119.158 tors. eta vs tors. theta energy: -228.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2425.570033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.570033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.570033 (E_RNA) where: Base-Base interactions energy: -1610.925 where: short stacking energy: -712.477 Base-Backbone interact. energy: 0.215 local terms energy: -814.859713 where: bonds (distance) C4'-P energy: -165.528 bonds (distance) P-C4' energy: -170.152 flat angles C4'-P-C4' energy: -180.594 flat angles P-C4'-P energy: -112.164 tors. eta vs tors. theta energy: -186.421 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: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2104.871072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.871072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.871072 (E_RNA) where: Base-Base interactions energy: -1361.785 where: short stacking energy: -618.125 Base-Backbone interact. energy: -0.538 local terms energy: -742.548198 where: bonds (distance) C4'-P energy: -142.983 bonds (distance) P-C4' energy: -160.906 flat angles C4'-P-C4' energy: -165.952 flat angles P-C4'-P energy: -113.123 tors. eta vs tors. theta energy: -159.585 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: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2008.871011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.871011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.871011 (E_RNA) where: Base-Base interactions energy: -1279.882 where: short stacking energy: -543.041 Base-Backbone interact. energy: 5.747 local terms energy: -734.736406 where: bonds (distance) C4'-P energy: -162.200 bonds (distance) P-C4' energy: -169.827 flat angles C4'-P-C4' energy: -169.469 flat angles P-C4'-P energy: -111.563 tors. eta vs tors. theta energy: -121.677 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: 7, replica: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1391.081338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.081338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.081338 (E_RNA) where: Base-Base interactions energy: -782.038 where: short stacking energy: -390.357 Base-Backbone interact. energy: 0.257 local terms energy: -609.300435 where: bonds (distance) C4'-P energy: -170.165 bonds (distance) P-C4' energy: -160.189 flat angles C4'-P-C4' energy: -155.898 flat angles P-C4'-P energy: -80.048 tors. eta vs tors. theta energy: -43.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1302.628341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.628341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.628341 (E_RNA) where: Base-Base interactions energy: -690.025 where: short stacking energy: -325.448 Base-Backbone interact. energy: 1.810 local terms energy: -614.414076 where: bonds (distance) C4'-P energy: -151.634 bonds (distance) P-C4' energy: -160.257 flat angles C4'-P-C4' energy: -138.007 flat angles P-C4'-P energy: -120.043 tors. eta vs tors. theta energy: -44.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -986.266828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.266828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.266828 (E_RNA) where: Base-Base interactions energy: -498.095 where: short stacking energy: -257.848 Base-Backbone interact. energy: 1.346 local terms energy: -489.517724 where: bonds (distance) C4'-P energy: -153.164 bonds (distance) P-C4' energy: -141.885 flat angles C4'-P-C4' energy: -123.242 flat angles P-C4'-P energy: -77.425 tors. eta vs tors. theta energy: 6.198 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: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -684.538367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.538367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.538367 (E_RNA) where: Base-Base interactions energy: -268.221 where: short stacking energy: -194.885 Base-Backbone interact. energy: -0.828 local terms energy: -415.489358 where: bonds (distance) C4'-P energy: -132.854 bonds (distance) P-C4' energy: -136.486 flat angles C4'-P-C4' energy: -114.725 flat angles P-C4'-P energy: -62.235 tors. eta vs tors. theta energy: 30.811 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: 9 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2932.557968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.557968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.557968 (E_RNA) where: Base-Base interactions energy: -1949.714 where: short stacking energy: -829.269 Base-Backbone interact. energy: -5.916 local terms energy: -976.928488 where: bonds (distance) C4'-P energy: -183.102 bonds (distance) P-C4' energy: -184.537 flat angles C4'-P-C4' energy: -204.807 flat angles P-C4'-P energy: -151.116 tors. eta vs tors. theta energy: -253.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2758.032495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.032495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.032495 (E_RNA) where: Base-Base interactions energy: -1866.277 where: short stacking energy: -737.704 Base-Backbone interact. energy: 0.969 local terms energy: -892.724530 where: bonds (distance) C4'-P energy: -172.721 bonds (distance) P-C4' energy: -183.579 flat angles C4'-P-C4' energy: -196.623 flat angles P-C4'-P energy: -119.871 tors. eta vs tors. theta energy: -219.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2667.097124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.097124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.097124 (E_RNA) where: Base-Base interactions energy: -1771.196 where: short stacking energy: -780.724 Base-Backbone interact. energy: -3.830 local terms energy: -892.071805 where: bonds (distance) C4'-P energy: -183.398 bonds (distance) P-C4' energy: -166.087 flat angles C4'-P-C4' energy: -195.787 flat angles P-C4'-P energy: -130.605 tors. eta vs tors. theta energy: -216.195 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: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2418.944435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.944435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.944435 (E_RNA) where: Base-Base interactions energy: -1620.140 where: short stacking energy: -681.831 Base-Backbone interact. energy: -1.496 local terms energy: -797.307923 where: bonds (distance) C4'-P energy: -145.820 bonds (distance) P-C4' energy: -167.806 flat angles C4'-P-C4' energy: -160.730 flat angles P-C4'-P energy: -130.261 tors. eta vs tors. theta energy: -192.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2104.807603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.807603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.807603 (E_RNA) where: Base-Base interactions energy: -1351.200 where: short stacking energy: -594.453 Base-Backbone interact. energy: -1.606 local terms energy: -752.001429 where: bonds (distance) C4'-P energy: -144.188 bonds (distance) P-C4' energy: -162.602 flat angles C4'-P-C4' energy: -165.648 flat angles P-C4'-P energy: -122.319 tors. eta vs tors. theta energy: -157.244 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: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2026.665492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.665492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.665492 (E_RNA) where: Base-Base interactions energy: -1315.766 where: short stacking energy: -603.596 Base-Backbone interact. energy: 2.074 local terms energy: -712.974195 where: bonds (distance) C4'-P energy: -145.585 bonds (distance) P-C4' energy: -159.515 flat angles C4'-P-C4' energy: -165.903 flat angles P-C4'-P energy: -92.287 tors. eta vs tors. theta energy: -149.684 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: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1344.235163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.235163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.235163 (E_RNA) where: Base-Base interactions energy: -724.683 where: short stacking energy: -374.767 Base-Backbone interact. energy: -3.767 local terms energy: -615.784275 where: bonds (distance) C4'-P energy: -161.921 bonds (distance) P-C4' energy: -152.198 flat angles C4'-P-C4' energy: -165.781 flat angles P-C4'-P energy: -90.909 tors. eta vs tors. theta energy: -44.976 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: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1297.582285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.582285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.582285 (E_RNA) where: Base-Base interactions energy: -734.814 where: short stacking energy: -328.311 Base-Backbone interact. energy: -1.352 local terms energy: -561.416143 where: bonds (distance) C4'-P energy: -149.494 bonds (distance) P-C4' energy: -147.760 flat angles C4'-P-C4' energy: -155.526 flat angles P-C4'-P energy: -77.381 tors. eta vs tors. theta energy: -31.256 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: 5 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -837.939964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.939964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.939964 (E_RNA) where: Base-Base interactions energy: -367.160 where: short stacking energy: -229.912 Base-Backbone interact. energy: -2.244 local terms energy: -468.536420 where: bonds (distance) C4'-P energy: -148.446 bonds (distance) P-C4' energy: -142.997 flat angles C4'-P-C4' energy: -137.081 flat angles P-C4'-P energy: -63.974 tors. eta vs tors. theta energy: 23.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -748.814453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.814453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.814453 (E_RNA) where: Base-Base interactions energy: -289.795 where: short stacking energy: -193.729 Base-Backbone interact. energy: 0.745 local terms energy: -459.764059 where: bonds (distance) C4'-P energy: -145.304 bonds (distance) P-C4' energy: -142.459 flat angles C4'-P-C4' energy: -129.033 flat angles P-C4'-P energy: -67.188 tors. eta vs tors. theta energy: 24.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2917.913850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.913850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.913850 (E_RNA) where: Base-Base interactions energy: -1950.721 where: short stacking energy: -848.180 Base-Backbone interact. energy: -4.440 local terms energy: -962.753270 where: bonds (distance) C4'-P energy: -179.023 bonds (distance) P-C4' energy: -189.163 flat angles C4'-P-C4' energy: -211.418 flat angles P-C4'-P energy: -132.955 tors. eta vs tors. theta energy: -250.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2735.205144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.205144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.205144 (E_RNA) where: Base-Base interactions energy: -1824.225 where: short stacking energy: -782.182 Base-Backbone interact. energy: -4.363 local terms energy: -906.617052 where: bonds (distance) C4'-P energy: -156.090 bonds (distance) P-C4' energy: -178.004 flat angles C4'-P-C4' energy: -211.057 flat angles P-C4'-P energy: -124.167 tors. eta vs tors. theta energy: -237.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2648.527496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.527496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.527496 (E_RNA) where: Base-Base interactions energy: -1769.775 where: short stacking energy: -772.016 Base-Backbone interact. energy: -1.868 local terms energy: -876.884991 where: bonds (distance) C4'-P energy: -173.401 bonds (distance) P-C4' energy: -173.651 flat angles C4'-P-C4' energy: -190.703 flat angles P-C4'-P energy: -121.666 tors. eta vs tors. theta energy: -217.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2405.580967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.580967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.580967 (E_RNA) where: Base-Base interactions energy: -1590.154 where: short stacking energy: -698.527 Base-Backbone interact. energy: -2.386 local terms energy: -813.041275 where: bonds (distance) C4'-P energy: -168.652 bonds (distance) P-C4' energy: -167.441 flat angles C4'-P-C4' energy: -188.106 flat angles P-C4'-P energy: -100.637 tors. eta vs tors. theta energy: -188.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2110.856660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.856660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.856660 (E_RNA) where: Base-Base interactions energy: -1367.129 where: short stacking energy: -598.266 Base-Backbone interact. energy: 5.341 local terms energy: -749.069244 where: bonds (distance) C4'-P energy: -162.158 bonds (distance) P-C4' energy: -177.359 flat angles C4'-P-C4' energy: -169.237 flat angles P-C4'-P energy: -108.730 tors. eta vs tors. theta energy: -131.585 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: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2047.363898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.363898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.363898 (E_RNA) where: Base-Base interactions energy: -1306.328 where: short stacking energy: -583.864 Base-Backbone interact. energy: -0.301 local terms energy: -740.734758 where: bonds (distance) C4'-P energy: -151.469 bonds (distance) P-C4' energy: -163.593 flat angles C4'-P-C4' energy: -168.181 flat angles P-C4'-P energy: -122.734 tors. eta vs tors. theta energy: -134.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1463.839973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.839973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.839973 (E_RNA) where: Base-Base interactions energy: -821.117 where: short stacking energy: -388.357 Base-Backbone interact. energy: -1.591 local terms energy: -641.132333 where: bonds (distance) C4'-P energy: -169.335 bonds (distance) P-C4' energy: -172.976 flat angles C4'-P-C4' energy: -156.120 flat angles P-C4'-P energy: -100.832 tors. eta vs tors. theta energy: -41.870 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: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1249.912755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.912755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.912755 (E_RNA) where: Base-Base interactions energy: -716.714 where: short stacking energy: -343.009 Base-Backbone interact. energy: -0.815 local terms energy: -532.383403 where: bonds (distance) C4'-P energy: -156.787 bonds (distance) P-C4' energy: -143.980 flat angles C4'-P-C4' energy: -149.252 flat angles P-C4'-P energy: -67.778 tors. eta vs tors. theta energy: -14.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -834.356638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.356638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.356638 (E_RNA) where: Base-Base interactions energy: -365.540 where: short stacking energy: -213.562 Base-Backbone interact. energy: 1.308 local terms energy: -470.123928 where: bonds (distance) C4'-P energy: -155.153 bonds (distance) P-C4' energy: -113.195 flat angles C4'-P-C4' energy: -150.432 flat angles P-C4'-P energy: -80.117 tors. eta vs tors. theta energy: 28.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -764.232022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.232022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.232022 (E_RNA) where: Base-Base interactions energy: -350.878 where: short stacking energy: -225.761 Base-Backbone interact. energy: -3.708 local terms energy: -409.646598 where: bonds (distance) C4'-P energy: -133.822 bonds (distance) P-C4' energy: -122.529 flat angles C4'-P-C4' energy: -124.320 flat angles P-C4'-P energy: -51.121 tors. eta vs tors. theta energy: 22.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2991.346031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.346031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.346031 (E_RNA) where: Base-Base interactions energy: -2039.050 where: short stacking energy: -881.559 Base-Backbone interact. energy: -5.248 local terms energy: -947.047844 where: bonds (distance) C4'-P energy: -162.795 bonds (distance) P-C4' energy: -177.688 flat angles C4'-P-C4' energy: -217.474 flat angles P-C4'-P energy: -127.306 tors. eta vs tors. theta energy: -261.785 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: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2773.225139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.225139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.225139 (E_RNA) where: Base-Base interactions energy: -1840.455 where: short stacking energy: -791.433 Base-Backbone interact. energy: -2.736 local terms energy: -930.034092 where: bonds (distance) C4'-P energy: -179.795 bonds (distance) P-C4' energy: -196.109 flat angles C4'-P-C4' energy: -200.832 flat angles P-C4'-P energy: -123.379 tors. eta vs tors. theta energy: -229.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2662.477752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.477752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.477752 (E_RNA) where: Base-Base interactions energy: -1777.913 where: short stacking energy: -785.732 Base-Backbone interact. energy: -3.114 local terms energy: -881.451381 where: bonds (distance) C4'-P energy: -159.456 bonds (distance) P-C4' energy: -169.150 flat angles C4'-P-C4' energy: -194.204 flat angles P-C4'-P energy: -127.404 tors. eta vs tors. theta energy: -231.237 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: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2483.520471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.520471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.520471 (E_RNA) where: Base-Base interactions energy: -1625.781 where: short stacking energy: -709.563 Base-Backbone interact. energy: 0.228 local terms energy: -857.967811 where: bonds (distance) C4'-P energy: -157.902 bonds (distance) P-C4' energy: -180.790 flat angles C4'-P-C4' energy: -203.181 flat angles P-C4'-P energy: -123.460 tors. eta vs tors. theta energy: -192.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2111.374497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.374497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.374497 (E_RNA) where: Base-Base interactions energy: -1346.743 where: short stacking energy: -620.794 Base-Backbone interact. energy: 1.212 local terms energy: -765.843124 where: bonds (distance) C4'-P energy: -159.897 bonds (distance) P-C4' energy: -157.548 flat angles C4'-P-C4' energy: -166.135 flat angles P-C4'-P energy: -112.115 tors. eta vs tors. theta energy: -170.147 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: 7 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2060.188267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.188267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.188267 (E_RNA) where: Base-Base interactions energy: -1319.415 where: short stacking energy: -586.165 Base-Backbone interact. energy: 3.169 local terms energy: -743.941518 where: bonds (distance) C4'-P energy: -170.018 bonds (distance) P-C4' energy: -159.441 flat angles C4'-P-C4' energy: -169.177 flat angles P-C4'-P energy: -110.699 tors. eta vs tors. theta energy: -134.606 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: 7, replica: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1436.263135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.263135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.263135 (E_RNA) where: Base-Base interactions energy: -811.853 where: short stacking energy: -398.491 Base-Backbone interact. energy: 5.797 local terms energy: -630.207257 where: bonds (distance) C4'-P energy: -150.001 bonds (distance) P-C4' energy: -154.119 flat angles C4'-P-C4' energy: -156.570 flat angles P-C4'-P energy: -100.644 tors. eta vs tors. theta energy: -68.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1177.162680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.162680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.162680 (E_RNA) where: Base-Base interactions energy: -627.093 where: short stacking energy: -283.506 Base-Backbone interact. energy: 6.367 local terms energy: -556.436679 where: bonds (distance) C4'-P energy: -143.084 bonds (distance) P-C4' energy: -166.317 flat angles C4'-P-C4' energy: -149.069 flat angles P-C4'-P energy: -81.985 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: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -844.325811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.325811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.325811 (E_RNA) where: Base-Base interactions energy: -320.877 where: short stacking energy: -183.534 Base-Backbone interact. energy: -3.787 local terms energy: -519.662287 where: bonds (distance) C4'-P energy: -146.628 bonds (distance) P-C4' energy: -161.504 flat angles C4'-P-C4' energy: -150.248 flat angles P-C4'-P energy: -84.451 tors. eta vs tors. theta energy: 23.168 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: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -792.956220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.956220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.956220 (E_RNA) where: Base-Base interactions energy: -338.868 where: short stacking energy: -205.776 Base-Backbone interact. energy: -0.165 local terms energy: -453.923021 where: bonds (distance) C4'-P energy: -126.505 bonds (distance) P-C4' energy: -131.197 flat angles C4'-P-C4' energy: -122.890 flat angles P-C4'-P energy: -81.072 tors. eta vs tors. theta energy: 7.741 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: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2995.855202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.855202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.855202 (E_RNA) where: Base-Base interactions energy: -2013.208 where: short stacking energy: -869.163 Base-Backbone interact. energy: -0.373 local terms energy: -982.273298 where: bonds (distance) C4'-P energy: -183.612 bonds (distance) P-C4' energy: -180.765 flat angles C4'-P-C4' energy: -215.777 flat angles P-C4'-P energy: -141.055 tors. eta vs tors. theta energy: -261.065 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: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2772.782015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.782015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.782015 (E_RNA) where: Base-Base interactions energy: -1833.097 where: short stacking energy: -767.773 Base-Backbone interact. energy: -5.106 local terms energy: -934.579194 where: bonds (distance) C4'-P energy: -174.880 bonds (distance) P-C4' energy: -193.133 flat angles C4'-P-C4' energy: -192.269 flat angles P-C4'-P energy: -131.913 tors. eta vs tors. theta energy: -242.384 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: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2655.033949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.033949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.033949 (E_RNA) where: Base-Base interactions energy: -1772.057 where: short stacking energy: -740.397 Base-Backbone interact. energy: -3.394 local terms energy: -879.582805 where: bonds (distance) C4'-P energy: -177.413 bonds (distance) P-C4' energy: -194.846 flat angles C4'-P-C4' energy: -182.382 flat angles P-C4'-P energy: -113.563 tors. eta vs tors. theta energy: -211.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2452.930972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.930972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.930972 (E_RNA) where: Base-Base interactions energy: -1610.842 where: short stacking energy: -699.383 Base-Backbone interact. energy: -4.361 local terms energy: -837.728460 where: bonds (distance) C4'-P energy: -176.757 bonds (distance) P-C4' energy: -166.087 flat angles C4'-P-C4' energy: -180.746 flat angles P-C4'-P energy: -122.600 tors. eta vs tors. theta energy: -191.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2121.125701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.125701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.125701 (E_RNA) where: Base-Base interactions energy: -1352.367 where: short stacking energy: -603.089 Base-Backbone interact. energy: -1.409 local terms energy: -767.350574 where: bonds (distance) C4'-P energy: -166.103 bonds (distance) P-C4' energy: -151.636 flat angles C4'-P-C4' energy: -181.951 flat angles P-C4'-P energy: -106.117 tors. eta vs tors. theta energy: -161.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2037.314654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.314654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.314654 (E_RNA) where: Base-Base interactions energy: -1358.266 where: short stacking energy: -559.218 Base-Backbone interact. energy: -3.502 local terms energy: -675.546944 where: bonds (distance) C4'-P energy: -146.757 bonds (distance) P-C4' energy: -149.339 flat angles C4'-P-C4' energy: -169.475 flat angles P-C4'-P energy: -77.067 tors. eta vs tors. theta energy: -132.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1407.387995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.387995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.387995 (E_RNA) where: Base-Base interactions energy: -805.462 where: short stacking energy: -405.273 Base-Backbone interact. energy: -1.974 local terms energy: -599.951828 where: bonds (distance) C4'-P energy: -164.647 bonds (distance) P-C4' energy: -157.947 flat angles C4'-P-C4' energy: -139.623 flat angles P-C4'-P energy: -92.078 tors. eta vs tors. theta energy: -45.656 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: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1207.614075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.614075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.614075 (E_RNA) where: Base-Base interactions energy: -654.876 where: short stacking energy: -291.826 Base-Backbone interact. energy: 2.269 local terms energy: -555.007193 where: bonds (distance) C4'-P energy: -162.113 bonds (distance) P-C4' energy: -158.764 flat angles C4'-P-C4' energy: -140.232 flat angles P-C4'-P energy: -81.909 tors. eta vs tors. theta energy: -11.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -814.849869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.849869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.849869 (E_RNA) where: Base-Base interactions energy: -312.470 where: short stacking energy: -197.649 Base-Backbone interact. energy: 1.849 local terms energy: -504.228885 where: bonds (distance) C4'-P energy: -153.712 bonds (distance) P-C4' energy: -169.383 flat angles C4'-P-C4' energy: -130.299 flat angles P-C4'-P energy: -79.445 tors. eta vs tors. theta energy: 28.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -806.227195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.227195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.227195 (E_RNA) where: Base-Base interactions energy: -378.579 where: short stacking energy: -212.210 Base-Backbone interact. energy: 0.512 local terms energy: -428.160296 where: bonds (distance) C4'-P energy: -134.901 bonds (distance) P-C4' energy: -141.251 flat angles C4'-P-C4' energy: -85.401 flat angles P-C4'-P energy: -91.006 tors. eta vs tors. theta energy: 24.400 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: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2959.691032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.691032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.691032 (E_RNA) where: Base-Base interactions energy: -2045.043 where: short stacking energy: -866.009 Base-Backbone interact. energy: -4.898 local terms energy: -909.749188 where: bonds (distance) C4'-P energy: -163.763 bonds (distance) P-C4' energy: -171.815 flat angles C4'-P-C4' energy: -194.302 flat angles P-C4'-P energy: -130.294 tors. eta vs tors. theta energy: -249.576 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: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2780.766481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.766481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.766481 (E_RNA) where: Base-Base interactions energy: -1861.069 where: short stacking energy: -797.930 Base-Backbone interact. energy: -3.527 local terms energy: -916.170404 where: bonds (distance) C4'-P energy: -174.808 bonds (distance) P-C4' energy: -180.916 flat angles C4'-P-C4' energy: -197.509 flat angles P-C4'-P energy: -127.741 tors. eta vs tors. theta energy: -235.197 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: 3, replica: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2642.902007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.902007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.902007 (E_RNA) where: Base-Base interactions energy: -1768.607 where: short stacking energy: -733.664 Base-Backbone interact. energy: -4.515 local terms energy: -869.780055 where: bonds (distance) C4'-P energy: -176.923 bonds (distance) P-C4' energy: -178.874 flat angles C4'-P-C4' energy: -183.807 flat angles P-C4'-P energy: -123.993 tors. eta vs tors. theta energy: -206.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2497.230835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.230835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.230835 (E_RNA) where: Base-Base interactions energy: -1655.035 where: short stacking energy: -698.878 Base-Backbone interact. energy: -0.296 local terms energy: -841.900269 where: bonds (distance) C4'-P energy: -161.051 bonds (distance) P-C4' energy: -167.534 flat angles C4'-P-C4' energy: -182.957 flat angles P-C4'-P energy: -128.277 tors. eta vs tors. theta energy: -202.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2136.252861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.252861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.252861 (E_RNA) where: Base-Base interactions energy: -1346.322 where: short stacking energy: -597.477 Base-Backbone interact. energy: -1.650 local terms energy: -788.280463 where: bonds (distance) C4'-P energy: -165.782 bonds (distance) P-C4' energy: -179.608 flat angles C4'-P-C4' energy: -177.658 flat angles P-C4'-P energy: -109.651 tors. eta vs tors. theta energy: -155.581 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: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2027.821362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.821362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.821362 (E_RNA) where: Base-Base interactions energy: -1319.323 where: short stacking energy: -568.425 Base-Backbone interact. energy: -1.327 local terms energy: -707.171653 where: bonds (distance) C4'-P energy: -151.461 bonds (distance) P-C4' energy: -164.869 flat angles C4'-P-C4' energy: -153.193 flat angles P-C4'-P energy: -97.246 tors. eta vs tors. theta energy: -140.403 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: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1444.938923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.938923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.938923 (E_RNA) where: Base-Base interactions energy: -852.003 where: short stacking energy: -411.330 Base-Backbone interact. energy: -1.075 local terms energy: -591.860737 where: bonds (distance) C4'-P energy: -124.541 bonds (distance) P-C4' energy: -174.073 flat angles C4'-P-C4' energy: -137.032 flat angles P-C4'-P energy: -89.373 tors. eta vs tors. theta energy: -66.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1196.890325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.890325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.890325 (E_RNA) where: Base-Base interactions energy: -625.621 where: short stacking energy: -323.002 Base-Backbone interact. energy: 3.002 local terms energy: -574.271315 where: bonds (distance) C4'-P energy: -136.460 bonds (distance) P-C4' energy: -165.935 flat angles C4'-P-C4' energy: -160.683 flat angles P-C4'-P energy: -92.262 tors. eta vs tors. theta energy: -18.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -808.946807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.946807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.946807 (E_RNA) where: Base-Base interactions energy: -326.135 where: short stacking energy: -230.819 Base-Backbone interact. energy: 5.073 local terms energy: -487.884124 where: bonds (distance) C4'-P energy: -150.965 bonds (distance) P-C4' energy: -158.467 flat angles C4'-P-C4' energy: -107.026 flat angles P-C4'-P energy: -71.912 tors. eta vs tors. theta energy: 0.486 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: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -807.841021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.841021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.841021 (E_RNA) where: Base-Base interactions energy: -336.535 where: short stacking energy: -201.263 Base-Backbone interact. energy: 1.327 local terms energy: -472.633510 where: bonds (distance) C4'-P energy: -153.319 bonds (distance) P-C4' energy: -149.700 flat angles C4'-P-C4' energy: -104.669 flat angles P-C4'-P energy: -74.185 tors. eta vs tors. theta energy: 9.240 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: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -3004.554834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.554834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.554834 (E_RNA) where: Base-Base interactions energy: -2012.769 where: short stacking energy: -863.857 Base-Backbone interact. energy: 0.516 local terms energy: -992.301110 where: bonds (distance) C4'-P energy: -166.964 bonds (distance) P-C4' energy: -192.203 flat angles C4'-P-C4' energy: -220.475 flat angles P-C4'-P energy: -146.684 tors. eta vs tors. theta energy: -265.976 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: 2, replica: 6 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2766.410071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.410071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.410071 (E_RNA) where: Base-Base interactions energy: -1836.471 where: short stacking energy: -797.357 Base-Backbone interact. energy: -2.688 local terms energy: -927.250742 where: bonds (distance) C4'-P energy: -177.176 bonds (distance) P-C4' energy: -180.901 flat angles C4'-P-C4' energy: -202.454 flat angles P-C4'-P energy: -124.863 tors. eta vs tors. theta energy: -241.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2697.082168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.082168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.082168 (E_RNA) where: Base-Base interactions energy: -1814.468 where: short stacking energy: -786.249 Base-Backbone interact. energy: -3.580 local terms energy: -879.034464 where: bonds (distance) C4'-P energy: -156.096 bonds (distance) P-C4' energy: -176.460 flat angles C4'-P-C4' energy: -192.746 flat angles P-C4'-P energy: -127.979 tors. eta vs tors. theta energy: -225.754 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: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2449.416761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.416761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.416761 (E_RNA) where: Base-Base interactions energy: -1618.842 where: short stacking energy: -691.781 Base-Backbone interact. energy: -2.373 local terms energy: -828.201476 where: bonds (distance) C4'-P energy: -175.390 bonds (distance) P-C4' energy: -169.033 flat angles C4'-P-C4' energy: -175.012 flat angles P-C4'-P energy: -118.827 tors. eta vs tors. theta energy: -189.940 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: 154 Temperature: 1.100000 Total energy: -2073.450956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.450956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.450956 (E_RNA) where: Base-Base interactions energy: -1321.968 where: short stacking energy: -591.361 Base-Backbone interact. energy: -2.487 local terms energy: -748.995362 where: bonds (distance) C4'-P energy: -155.018 bonds (distance) P-C4' energy: -171.723 flat angles C4'-P-C4' energy: -172.961 flat angles P-C4'-P energy: -108.550 tors. eta vs tors. theta energy: -140.743 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: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2078.019429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.019429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.019429 (E_RNA) where: Base-Base interactions energy: -1321.099 where: short stacking energy: -559.762 Base-Backbone interact. energy: 1.051 local terms energy: -757.971654 where: bonds (distance) C4'-P energy: -176.323 bonds (distance) P-C4' energy: -161.163 flat angles C4'-P-C4' energy: -164.455 flat angles P-C4'-P energy: -118.748 tors. eta vs tors. theta energy: -137.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1319.634605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.634605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.634605 (E_RNA) where: Base-Base interactions energy: -691.066 where: short stacking energy: -381.547 Base-Backbone interact. energy: 0.296 local terms energy: -628.863781 where: bonds (distance) C4'-P energy: -157.081 bonds (distance) P-C4' energy: -155.501 flat angles C4'-P-C4' energy: -155.089 flat angles P-C4'-P energy: -111.928 tors. eta vs tors. theta energy: -49.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1421.972682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.972682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.972682 (E_RNA) where: Base-Base interactions energy: -852.879 where: short stacking energy: -408.273 Base-Backbone interact. energy: -2.724 local terms energy: -566.369877 where: bonds (distance) C4'-P energy: -150.462 bonds (distance) P-C4' energy: -161.864 flat angles C4'-P-C4' energy: -132.070 flat angles P-C4'-P energy: -59.580 tors. eta vs tors. theta energy: -62.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -822.212222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.212222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.212222 (E_RNA) where: Base-Base interactions energy: -389.111 where: short stacking energy: -241.054 Base-Backbone interact. energy: -1.737 local terms energy: -431.364018 where: bonds (distance) C4'-P energy: -143.903 bonds (distance) P-C4' energy: -137.949 flat angles C4'-P-C4' energy: -122.107 flat angles P-C4'-P energy: -71.601 tors. eta vs tors. theta energy: 44.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -729.527093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.527093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.527093 (E_RNA) where: Base-Base interactions energy: -262.142 where: short stacking energy: -191.185 Base-Backbone interact. energy: -1.115 local terms energy: -466.270235 where: bonds (distance) C4'-P energy: -153.423 bonds (distance) P-C4' energy: -156.526 flat angles C4'-P-C4' energy: -108.174 flat angles P-C4'-P energy: -82.058 tors. eta vs tors. theta energy: 33.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2980.401761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.401761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.401761 (E_RNA) where: Base-Base interactions energy: -2018.786 where: short stacking energy: -842.214 Base-Backbone interact. energy: -2.683 local terms energy: -958.932811 where: bonds (distance) C4'-P energy: -179.833 bonds (distance) P-C4' energy: -180.641 flat angles C4'-P-C4' energy: -203.609 flat angles P-C4'-P energy: -136.881 tors. eta vs tors. theta energy: -257.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2792.480070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.480070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.480070 (E_RNA) where: Base-Base interactions energy: -1871.961 where: short stacking energy: -803.154 Base-Backbone interact. energy: -6.548 local terms energy: -913.971329 where: bonds (distance) C4'-P energy: -166.547 bonds (distance) P-C4' energy: -174.831 flat angles C4'-P-C4' energy: -199.759 flat angles P-C4'-P energy: -142.220 tors. eta vs tors. theta energy: -230.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2667.553503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.553503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.553503 (E_RNA) where: Base-Base interactions energy: -1811.587 where: short stacking energy: -771.390 Base-Backbone interact. energy: -0.689 local terms energy: -855.277682 where: bonds (distance) C4'-P energy: -172.580 bonds (distance) P-C4' energy: -140.204 flat angles C4'-P-C4' energy: -185.217 flat angles P-C4'-P energy: -133.570 tors. eta vs tors. theta energy: -223.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2462.452257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.452257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.452257 (E_RNA) where: Base-Base interactions energy: -1609.984 where: short stacking energy: -706.693 Base-Backbone interact. energy: -2.584 local terms energy: -849.883957 where: bonds (distance) C4'-P energy: -161.118 bonds (distance) P-C4' energy: -173.256 flat angles C4'-P-C4' energy: -193.420 flat angles P-C4'-P energy: -123.707 tors. eta vs tors. theta energy: -198.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2063.738498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.738498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.738498 (E_RNA) where: Base-Base interactions energy: -1318.282 where: short stacking energy: -570.555 Base-Backbone interact. energy: -0.308 local terms energy: -745.148637 where: bonds (distance) C4'-P energy: -159.631 bonds (distance) P-C4' energy: -157.144 flat angles C4'-P-C4' energy: -167.272 flat angles P-C4'-P energy: -99.847 tors. eta vs tors. theta energy: -161.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2032.856786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.856786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.856786 (E_RNA) where: Base-Base interactions energy: -1310.728 where: short stacking energy: -573.474 Base-Backbone interact. energy: -1.129 local terms energy: -720.999793 where: bonds (distance) C4'-P energy: -164.767 bonds (distance) P-C4' energy: -151.750 flat angles C4'-P-C4' energy: -140.424 flat angles P-C4'-P energy: -119.127 tors. eta vs tors. theta energy: -144.932 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: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1293.271850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.271850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.271850 (E_RNA) where: Base-Base interactions energy: -695.056 where: short stacking energy: -339.369 Base-Backbone interact. energy: -3.534 local terms energy: -594.681404 where: bonds (distance) C4'-P energy: -140.721 bonds (distance) P-C4' energy: -175.085 flat angles C4'-P-C4' energy: -148.210 flat angles P-C4'-P energy: -82.806 tors. eta vs tors. theta energy: -47.859 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: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1347.583266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.583266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.583266 (E_RNA) where: Base-Base interactions energy: -768.808 where: short stacking energy: -367.322 Base-Backbone interact. energy: -0.754 local terms energy: -578.021573 where: bonds (distance) C4'-P energy: -152.788 bonds (distance) P-C4' energy: -168.211 flat angles C4'-P-C4' energy: -120.937 flat angles P-C4'-P energy: -87.845 tors. eta vs tors. theta energy: -48.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -816.117072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.117072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.117072 (E_RNA) where: Base-Base interactions energy: -375.879 where: short stacking energy: -211.516 Base-Backbone interact. energy: 3.468 local terms energy: -443.706045 where: bonds (distance) C4'-P energy: -160.423 bonds (distance) P-C4' energy: -149.868 flat angles C4'-P-C4' energy: -122.379 flat angles P-C4'-P energy: -57.037 tors. eta vs tors. theta energy: 46.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -733.359410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.359410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.359410 (E_RNA) where: Base-Base interactions energy: -297.489 where: short stacking energy: -194.031 Base-Backbone interact. energy: 6.849 local terms energy: -442.719666 where: bonds (distance) C4'-P energy: -125.480 bonds (distance) P-C4' energy: -149.484 flat angles C4'-P-C4' energy: -113.242 flat angles P-C4'-P energy: -91.230 tors. eta vs tors. theta energy: 36.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2938.740941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.740941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.740941 (E_RNA) where: Base-Base interactions energy: -1964.463 where: short stacking energy: -835.340 Base-Backbone interact. energy: -2.536 local terms energy: -971.742471 where: bonds (distance) C4'-P energy: -188.275 bonds (distance) P-C4' energy: -184.508 flat angles C4'-P-C4' energy: -207.358 flat angles P-C4'-P energy: -133.635 tors. eta vs tors. theta energy: -257.966 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: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2800.255992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.255992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.255992 (E_RNA) where: Base-Base interactions energy: -1882.054 where: short stacking energy: -778.681 Base-Backbone interact. energy: -4.422 local terms energy: -913.779124 where: bonds (distance) C4'-P energy: -169.582 bonds (distance) P-C4' energy: -183.892 flat angles C4'-P-C4' energy: -200.169 flat angles P-C4'-P energy: -121.745 tors. eta vs tors. theta energy: -238.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2629.016213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.016213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.016213 (E_RNA) where: Base-Base interactions energy: -1762.528 where: short stacking energy: -768.154 Base-Backbone interact. energy: -2.937 local terms energy: -863.550844 where: bonds (distance) C4'-P energy: -173.355 bonds (distance) P-C4' energy: -173.258 flat angles C4'-P-C4' energy: -194.472 flat angles P-C4'-P energy: -115.700 tors. eta vs tors. theta energy: -206.766 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: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2500.132205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.132205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.132205 (E_RNA) where: Base-Base interactions energy: -1678.733 where: short stacking energy: -739.499 Base-Backbone interact. energy: 3.863 local terms energy: -825.262582 where: bonds (distance) C4'-P energy: -158.093 bonds (distance) P-C4' energy: -168.110 flat angles C4'-P-C4' energy: -186.367 flat angles P-C4'-P energy: -120.067 tors. eta vs tors. theta energy: -192.625 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: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2118.678480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.678480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.678480 (E_RNA) where: Base-Base interactions energy: -1407.860 where: short stacking energy: -609.680 Base-Backbone interact. energy: 1.441 local terms energy: -712.258533 where: bonds (distance) C4'-P energy: -114.840 bonds (distance) P-C4' energy: -158.605 flat angles C4'-P-C4' energy: -186.465 flat angles P-C4'-P energy: -114.842 tors. eta vs tors. theta energy: -137.508 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: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1901.854253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.854253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.854253 (E_RNA) where: Base-Base interactions energy: -1215.471 where: short stacking energy: -536.783 Base-Backbone interact. energy: 0.766 local terms energy: -687.149387 where: bonds (distance) C4'-P energy: -154.921 bonds (distance) P-C4' energy: -160.629 flat angles C4'-P-C4' energy: -155.532 flat angles P-C4'-P energy: -105.057 tors. eta vs tors. theta energy: -111.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1476.620064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.620064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.620064 (E_RNA) where: Base-Base interactions energy: -876.003 where: short stacking energy: -420.717 Base-Backbone interact. energy: 4.517 local terms energy: -605.134124 where: bonds (distance) C4'-P energy: -156.582 bonds (distance) P-C4' energy: -163.188 flat angles C4'-P-C4' energy: -141.526 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: -59.786 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: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1254.342204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.342204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.342204 (E_RNA) where: Base-Base interactions energy: -670.145 where: short stacking energy: -333.337 Base-Backbone interact. energy: -3.017 local terms energy: -581.180223 where: bonds (distance) C4'-P energy: -147.206 bonds (distance) P-C4' energy: -152.874 flat angles C4'-P-C4' energy: -145.472 flat angles P-C4'-P energy: -100.525 tors. eta vs tors. theta energy: -35.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -789.338522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.338522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.338522 (E_RNA) where: Base-Base interactions energy: -295.223 where: short stacking energy: -196.499 Base-Backbone interact. energy: -2.134 local terms energy: -491.981633 where: bonds (distance) C4'-P energy: -149.314 bonds (distance) P-C4' energy: -152.429 flat angles C4'-P-C4' energy: -132.890 flat angles P-C4'-P energy: -80.349 tors. eta vs tors. theta energy: 23.001 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: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -783.783992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.783992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.783992 (E_RNA) where: Base-Base interactions energy: -327.091 where: short stacking energy: -208.133 Base-Backbone interact. energy: -0.628 local terms energy: -456.065227 where: bonds (distance) C4'-P energy: -144.208 bonds (distance) P-C4' energy: -140.200 flat angles C4'-P-C4' energy: -131.449 flat angles P-C4'-P energy: -64.597 tors. eta vs tors. theta energy: 24.389 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: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2919.326780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.326780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.326780 (E_RNA) where: Base-Base interactions energy: -1938.315 where: short stacking energy: -827.059 Base-Backbone interact. energy: -8.246 local terms energy: -972.765866 where: bonds (distance) C4'-P energy: -172.784 bonds (distance) P-C4' energy: -193.049 flat angles C4'-P-C4' energy: -205.118 flat angles P-C4'-P energy: -148.126 tors. eta vs tors. theta energy: -253.689 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: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2748.765098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.765098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.765098 (E_RNA) where: Base-Base interactions energy: -1822.242 where: short stacking energy: -777.164 Base-Backbone interact. energy: -3.722 local terms energy: -922.801426 where: bonds (distance) C4'-P energy: -179.841 bonds (distance) P-C4' energy: -167.299 flat angles C4'-P-C4' energy: -210.675 flat angles P-C4'-P energy: -131.783 tors. eta vs tors. theta energy: -233.203 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: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2613.567207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.567207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.567207 (E_RNA) where: Base-Base interactions energy: -1744.070 where: short stacking energy: -755.614 Base-Backbone interact. energy: -0.003 local terms energy: -869.494609 where: bonds (distance) C4'-P energy: -170.504 bonds (distance) P-C4' energy: -184.220 flat angles C4'-P-C4' energy: -190.488 flat angles P-C4'-P energy: -107.055 tors. eta vs tors. theta energy: -217.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2537.626405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.626405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.626405 (E_RNA) where: Base-Base interactions energy: -1687.218 where: short stacking energy: -713.117 Base-Backbone interact. energy: -1.988 local terms energy: -848.420675 where: bonds (distance) C4'-P energy: -161.181 bonds (distance) P-C4' energy: -171.349 flat angles C4'-P-C4' energy: -194.295 flat angles P-C4'-P energy: -112.434 tors. eta vs tors. theta energy: -209.162 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: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2177.373888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.373888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.373888 (E_RNA) where: Base-Base interactions energy: -1384.782 where: short stacking energy: -638.528 Base-Backbone interact. energy: -3.100 local terms energy: -789.491769 where: bonds (distance) C4'-P energy: -174.320 bonds (distance) P-C4' energy: -178.447 flat angles C4'-P-C4' energy: -169.760 flat angles P-C4'-P energy: -101.778 tors. eta vs tors. theta energy: -165.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1879.759382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.759382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.759382 (E_RNA) where: Base-Base interactions energy: -1149.870 where: short stacking energy: -524.485 Base-Backbone interact. energy: 2.084 local terms energy: -731.973336 where: bonds (distance) C4'-P energy: -160.242 bonds (distance) P-C4' energy: -175.663 flat angles C4'-P-C4' energy: -164.978 flat angles P-C4'-P energy: -104.368 tors. eta vs tors. theta energy: -126.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1520.667362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.667362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.667362 (E_RNA) where: Base-Base interactions energy: -903.389 where: short stacking energy: -442.894 Base-Backbone interact. energy: -2.122 local terms energy: -615.156648 where: bonds (distance) C4'-P energy: -147.528 bonds (distance) P-C4' energy: -158.574 flat angles C4'-P-C4' energy: -158.580 flat angles P-C4'-P energy: -85.757 tors. eta vs tors. theta energy: -64.718 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: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1269.477191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.477191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.477191 (E_RNA) where: Base-Base interactions energy: -729.568 where: short stacking energy: -360.983 Base-Backbone interact. energy: 6.698 local terms energy: -546.606574 where: bonds (distance) C4'-P energy: -128.631 bonds (distance) P-C4' energy: -160.614 flat angles C4'-P-C4' energy: -136.685 flat angles P-C4'-P energy: -84.341 tors. eta vs tors. theta energy: -36.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -780.495102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.495102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.495102 (E_RNA) where: Base-Base interactions energy: -308.366 where: short stacking energy: -218.817 Base-Backbone interact. energy: 1.287 local terms energy: -473.415904 where: bonds (distance) C4'-P energy: -138.152 bonds (distance) P-C4' energy: -160.472 flat angles C4'-P-C4' energy: -128.988 flat angles P-C4'-P energy: -72.478 tors. eta vs tors. theta energy: 26.674 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: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -753.919223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.919223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.919223 (E_RNA) where: Base-Base interactions energy: -312.562 where: short stacking energy: -188.327 Base-Backbone interact. energy: 0.279 local terms energy: -441.636040 where: bonds (distance) C4'-P energy: -138.824 bonds (distance) P-C4' energy: -148.168 flat angles C4'-P-C4' energy: -122.987 flat angles P-C4'-P energy: -64.026 tors. eta vs tors. theta energy: 32.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2920.481335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.481335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.481335 (E_RNA) where: Base-Base interactions energy: -1947.618 where: short stacking energy: -861.807 Base-Backbone interact. energy: -6.437 local terms energy: -966.426843 where: bonds (distance) C4'-P energy: -187.227 bonds (distance) P-C4' energy: -185.082 flat angles C4'-P-C4' energy: -205.567 flat angles P-C4'-P energy: -136.611 tors. eta vs tors. theta energy: -251.941 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: 2, replica: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2761.293108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.293108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.293108 (E_RNA) where: Base-Base interactions energy: -1836.560 where: short stacking energy: -805.547 Base-Backbone interact. energy: -0.969 local terms energy: -923.764605 where: bonds (distance) C4'-P energy: -171.300 bonds (distance) P-C4' energy: -188.054 flat angles C4'-P-C4' energy: -198.799 flat angles P-C4'-P energy: -136.970 tors. eta vs tors. theta energy: -228.641 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: 3, replica: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2627.967734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.967734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.967734 (E_RNA) where: Base-Base interactions energy: -1752.051 where: short stacking energy: -795.992 Base-Backbone interact. energy: -0.488 local terms energy: -875.429074 where: bonds (distance) C4'-P energy: -161.468 bonds (distance) P-C4' energy: -153.616 flat angles C4'-P-C4' energy: -196.730 flat angles P-C4'-P energy: -122.176 tors. eta vs tors. theta energy: -241.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2447.965874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.965874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.965874 (E_RNA) where: Base-Base interactions energy: -1625.966 where: short stacking energy: -662.014 Base-Backbone interact. energy: -3.011 local terms energy: -818.989591 where: bonds (distance) C4'-P energy: -170.029 bonds (distance) P-C4' energy: -169.910 flat angles C4'-P-C4' energy: -170.308 flat angles P-C4'-P energy: -121.899 tors. eta vs tors. theta energy: -186.844 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: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2131.117514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.117514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.117514 (E_RNA) where: Base-Base interactions energy: -1375.013 where: short stacking energy: -601.059 Base-Backbone interact. energy: 0.610 local terms energy: -756.714917 where: bonds (distance) C4'-P energy: -152.905 bonds (distance) P-C4' energy: -166.524 flat angles C4'-P-C4' energy: -175.544 flat angles P-C4'-P energy: -115.227 tors. eta vs tors. theta energy: -146.515 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: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1931.642319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.642319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.642319 (E_RNA) where: Base-Base interactions energy: -1227.017 where: short stacking energy: -586.653 Base-Backbone interact. energy: -1.595 local terms energy: -703.030385 where: bonds (distance) C4'-P energy: -147.292 bonds (distance) P-C4' energy: -152.379 flat angles C4'-P-C4' energy: -167.050 flat angles P-C4'-P energy: -96.160 tors. eta vs tors. theta energy: -140.150 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: 7, replica: 10 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1542.270308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.270308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.270308 (E_RNA) where: Base-Base interactions energy: -943.007 where: short stacking energy: -421.820 Base-Backbone interact. energy: 1.481 local terms energy: -600.743638 where: bonds (distance) C4'-P energy: -124.648 bonds (distance) P-C4' energy: -156.682 flat angles C4'-P-C4' energy: -157.256 flat angles P-C4'-P energy: -90.470 tors. eta vs tors. theta energy: -71.687 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: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1249.433581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.433581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.433581 (E_RNA) where: Base-Base interactions energy: -690.078 where: short stacking energy: -341.754 Base-Backbone interact. energy: 7.429 local terms energy: -566.783972 where: bonds (distance) C4'-P energy: -153.565 bonds (distance) P-C4' energy: -168.869 flat angles C4'-P-C4' energy: -113.848 flat angles P-C4'-P energy: -97.469 tors. eta vs tors. theta energy: -33.033 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: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -843.083173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.083173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.083173 (E_RNA) where: Base-Base interactions energy: -364.625 where: short stacking energy: -197.751 Base-Backbone interact. energy: 5.293 local terms energy: -483.751700 where: bonds (distance) C4'-P energy: -139.036 bonds (distance) P-C4' energy: -156.379 flat angles C4'-P-C4' energy: -141.214 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: 36.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -730.586476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.586476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.586476 (E_RNA) where: Base-Base interactions energy: -282.254 where: short stacking energy: -207.043 Base-Backbone interact. energy: -2.219 local terms energy: -446.113546 where: bonds (distance) C4'-P energy: -142.337 bonds (distance) P-C4' energy: -128.477 flat angles C4'-P-C4' energy: -116.167 flat angles P-C4'-P energy: -76.598 tors. eta vs tors. theta energy: 17.465 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: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2930.362680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.362680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.362680 (E_RNA) where: Base-Base interactions energy: -1970.467 where: short stacking energy: -862.756 Base-Backbone interact. energy: -2.462 local terms energy: -957.433198 where: bonds (distance) C4'-P energy: -168.101 bonds (distance) P-C4' energy: -184.968 flat angles C4'-P-C4' energy: -207.963 flat angles P-C4'-P energy: -138.341 tors. eta vs tors. theta energy: -258.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2794.029085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.029085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.029085 (E_RNA) where: Base-Base interactions energy: -1870.594 where: short stacking energy: -801.557 Base-Backbone interact. energy: -1.869 local terms energy: -921.565972 where: bonds (distance) C4'-P energy: -186.068 bonds (distance) P-C4' energy: -153.226 flat angles C4'-P-C4' energy: -210.976 flat angles P-C4'-P energy: -121.628 tors. eta vs tors. theta energy: -249.668 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: 3, replica: 3 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2636.061474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.061474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.061474 (E_RNA) where: Base-Base interactions energy: -1716.120 where: short stacking energy: -758.263 Base-Backbone interact. energy: -0.185 local terms energy: -919.756049 where: bonds (distance) C4'-P energy: -176.239 bonds (distance) P-C4' energy: -177.951 flat angles C4'-P-C4' energy: -218.928 flat angles P-C4'-P energy: -122.236 tors. eta vs tors. theta energy: -224.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2423.619085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.619085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.619085 (E_RNA) where: Base-Base interactions energy: -1575.859 where: short stacking energy: -702.066 Base-Backbone interact. energy: -2.169 local terms energy: -845.590966 where: bonds (distance) C4'-P energy: -166.462 bonds (distance) P-C4' energy: -179.088 flat angles C4'-P-C4' energy: -192.709 flat angles P-C4'-P energy: -112.836 tors. eta vs tors. theta energy: -194.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2227.127983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.127983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.127983 (E_RNA) where: Base-Base interactions energy: -1491.219 where: short stacking energy: -624.553 Base-Backbone interact. energy: 4.476 local terms energy: -740.385042 where: bonds (distance) C4'-P energy: -146.645 bonds (distance) P-C4' energy: -154.511 flat angles C4'-P-C4' energy: -175.733 flat angles P-C4'-P energy: -95.797 tors. eta vs tors. theta energy: -167.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1881.131036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.131036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.131036 (E_RNA) where: Base-Base interactions energy: -1173.506 where: short stacking energy: -549.162 Base-Backbone interact. energy: -2.575 local terms energy: -705.049430 where: bonds (distance) C4'-P energy: -147.693 bonds (distance) P-C4' energy: -171.571 flat angles C4'-P-C4' energy: -150.807 flat angles P-C4'-P energy: -98.115 tors. eta vs tors. theta energy: -136.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1600.131034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.131034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.131034 (E_RNA) where: Base-Base interactions energy: -950.571 where: short stacking energy: -442.632 Base-Backbone interact. energy: 1.895 local terms energy: -651.455291 where: bonds (distance) C4'-P energy: -166.203 bonds (distance) P-C4' energy: -168.062 flat angles C4'-P-C4' energy: -162.017 flat angles P-C4'-P energy: -80.043 tors. eta vs tors. theta energy: -75.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1208.859931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.859931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.859931 (E_RNA) where: Base-Base interactions energy: -670.267 where: short stacking energy: -345.247 Base-Backbone interact. energy: -1.449 local terms energy: -537.144097 where: bonds (distance) C4'-P energy: -149.732 bonds (distance) P-C4' energy: -134.732 flat angles C4'-P-C4' energy: -148.562 flat angles P-C4'-P energy: -74.472 tors. eta vs tors. theta energy: -29.646 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: 8 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -860.178327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.178327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.178327 (E_RNA) where: Base-Base interactions energy: -372.494 where: short stacking energy: -246.522 Base-Backbone interact. energy: 2.550 local terms energy: -490.234933 where: bonds (distance) C4'-P energy: -139.856 bonds (distance) P-C4' energy: -157.894 flat angles C4'-P-C4' energy: -126.829 flat angles P-C4'-P energy: -71.003 tors. eta vs tors. theta energy: 5.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -748.127499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.127499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.127499 (E_RNA) where: Base-Base interactions energy: -295.448 where: short stacking energy: -200.930 Base-Backbone interact. energy: 7.494 local terms energy: -460.172828 where: bonds (distance) C4'-P energy: -137.998 bonds (distance) P-C4' energy: -154.164 flat angles C4'-P-C4' energy: -116.722 flat angles P-C4'-P energy: -67.630 tors. eta vs tors. theta energy: 16.342 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: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2932.011035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.011035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.011035 (E_RNA) where: Base-Base interactions energy: -1974.226 where: short stacking energy: -865.828 Base-Backbone interact. energy: 3.726 local terms energy: -961.511745 where: bonds (distance) C4'-P energy: -175.556 bonds (distance) P-C4' energy: -197.594 flat angles C4'-P-C4' energy: -204.732 flat angles P-C4'-P energy: -126.765 tors. eta vs tors. theta energy: -256.864 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: 2, replica: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2766.622322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.622322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.622322 (E_RNA) where: Base-Base interactions energy: -1853.796 where: short stacking energy: -781.696 Base-Backbone interact. energy: -6.254 local terms energy: -906.571987 where: bonds (distance) C4'-P energy: -158.310 bonds (distance) P-C4' energy: -189.363 flat angles C4'-P-C4' energy: -196.256 flat angles P-C4'-P energy: -121.045 tors. eta vs tors. theta energy: -241.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2582.626523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.626523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.626523 (E_RNA) where: Base-Base interactions energy: -1719.750 where: short stacking energy: -735.583 Base-Backbone interact. energy: -3.658 local terms energy: -859.218178 where: bonds (distance) C4'-P energy: -171.076 bonds (distance) P-C4' energy: -177.381 flat angles C4'-P-C4' energy: -182.002 flat angles P-C4'-P energy: -114.777 tors. eta vs tors. theta energy: -213.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2379.962780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.962780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.962780 (E_RNA) where: Base-Base interactions energy: -1555.520 where: short stacking energy: -702.143 Base-Backbone interact. energy: -1.945 local terms energy: -822.497706 where: bonds (distance) C4'-P energy: -176.949 bonds (distance) P-C4' energy: -151.987 flat angles C4'-P-C4' energy: -185.614 flat angles P-C4'-P energy: -113.229 tors. eta vs tors. theta energy: -194.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2240.570941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.570941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.570941 (E_RNA) where: Base-Base interactions energy: -1451.038 where: short stacking energy: -635.404 Base-Backbone interact. energy: 4.823 local terms energy: -794.355815 where: bonds (distance) C4'-P energy: -173.870 bonds (distance) P-C4' energy: -159.087 flat angles C4'-P-C4' energy: -168.219 flat angles P-C4'-P energy: -115.243 tors. eta vs tors. theta energy: -177.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1807.601086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.601086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.601086 (E_RNA) where: Base-Base interactions energy: -1082.986 where: short stacking energy: -518.757 Base-Backbone interact. energy: -2.961 local terms energy: -721.653786 where: bonds (distance) C4'-P energy: -166.343 bonds (distance) P-C4' energy: -167.085 flat angles C4'-P-C4' energy: -156.507 flat angles P-C4'-P energy: -107.775 tors. eta vs tors. theta energy: -123.943 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: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1575.453962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.453962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.453962 (E_RNA) where: Base-Base interactions energy: -953.157 where: short stacking energy: -450.707 Base-Backbone interact. energy: 6.035 local terms energy: -628.331156 where: bonds (distance) C4'-P energy: -150.475 bonds (distance) P-C4' energy: -178.907 flat angles C4'-P-C4' energy: -153.852 flat angles P-C4'-P energy: -73.450 tors. eta vs tors. theta energy: -71.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1212.431411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.431411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.431411 (E_RNA) where: Base-Base interactions energy: -653.272 where: short stacking energy: -322.215 Base-Backbone interact. energy: -0.551 local terms energy: -558.607764 where: bonds (distance) C4'-P energy: -128.960 bonds (distance) P-C4' energy: -162.521 flat angles C4'-P-C4' energy: -138.232 flat angles P-C4'-P energy: -96.988 tors. eta vs tors. theta energy: -31.906 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: 8 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -878.416190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.416190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.416190 (E_RNA) where: Base-Base interactions energy: -383.869 where: short stacking energy: -220.378 Base-Backbone interact. energy: 9.160 local terms energy: -503.707821 where: bonds (distance) C4'-P energy: -157.104 bonds (distance) P-C4' energy: -152.446 flat angles C4'-P-C4' energy: -121.457 flat angles P-C4'-P energy: -82.029 tors. eta vs tors. theta energy: 9.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -745.326143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.326143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.326143 (E_RNA) where: Base-Base interactions energy: -310.811 where: short stacking energy: -206.190 Base-Backbone interact. energy: 17.139 local terms energy: -451.654771 where: bonds (distance) C4'-P energy: -141.892 bonds (distance) P-C4' energy: -154.950 flat angles C4'-P-C4' energy: -104.002 flat angles P-C4'-P energy: -66.261 tors. eta vs tors. theta energy: 15.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2949.829534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.829534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.829534 (E_RNA) where: Base-Base interactions energy: -2009.553 where: short stacking energy: -873.578 Base-Backbone interact. energy: -0.077 local terms energy: -940.199241 where: bonds (distance) C4'-P energy: -187.019 bonds (distance) P-C4' energy: -164.435 flat angles C4'-P-C4' energy: -200.723 flat angles P-C4'-P energy: -121.540 tors. eta vs tors. theta energy: -266.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2792.484884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.484884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.484884 (E_RNA) where: Base-Base interactions energy: -1851.558 where: short stacking energy: -797.641 Base-Backbone interact. energy: -5.300 local terms energy: -935.626760 where: bonds (distance) C4'-P energy: -186.731 bonds (distance) P-C4' energy: -189.238 flat angles C4'-P-C4' energy: -194.360 flat angles P-C4'-P energy: -137.762 tors. eta vs tors. theta energy: -227.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2604.260157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.260157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.260157 (E_RNA) where: Base-Base interactions energy: -1697.219 where: short stacking energy: -734.657 Base-Backbone interact. energy: -3.221 local terms energy: -903.820236 where: bonds (distance) C4'-P energy: -175.064 bonds (distance) P-C4' energy: -186.493 flat angles C4'-P-C4' energy: -198.929 flat angles P-C4'-P energy: -136.728 tors. eta vs tors. theta energy: -206.606 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: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2464.911687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.911687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.911687 (E_RNA) where: Base-Base interactions energy: -1629.199 where: short stacking energy: -702.568 Base-Backbone interact. energy: -1.526 local terms energy: -834.186848 where: bonds (distance) C4'-P energy: -173.330 bonds (distance) P-C4' energy: -159.264 flat angles C4'-P-C4' energy: -181.641 flat angles P-C4'-P energy: -111.339 tors. eta vs tors. theta energy: -208.612 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: 5, replica: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2289.107646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.107646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.107646 (E_RNA) where: Base-Base interactions energy: -1509.207 where: short stacking energy: -645.166 Base-Backbone interact. energy: -2.614 local terms energy: -777.286635 where: bonds (distance) C4'-P energy: -156.228 bonds (distance) P-C4' energy: -167.503 flat angles C4'-P-C4' energy: -174.766 flat angles P-C4'-P energy: -118.189 tors. eta vs tors. theta energy: -160.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1767.935898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.935898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.935898 (E_RNA) where: Base-Base interactions energy: -1074.332 where: short stacking energy: -476.895 Base-Backbone interact. energy: -1.187 local terms energy: -692.417544 where: bonds (distance) C4'-P energy: -141.228 bonds (distance) P-C4' energy: -157.572 flat angles C4'-P-C4' energy: -171.300 flat angles P-C4'-P energy: -116.561 tors. eta vs tors. theta energy: -105.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1578.142088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.142088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.142088 (E_RNA) where: Base-Base interactions energy: -961.773 where: short stacking energy: -439.612 Base-Backbone interact. energy: -0.236 local terms energy: -616.132551 where: bonds (distance) C4'-P energy: -157.417 bonds (distance) P-C4' energy: -149.891 flat angles C4'-P-C4' energy: -157.452 flat angles P-C4'-P energy: -87.825 tors. eta vs tors. theta energy: -63.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1318.883749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.883749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.883749 (E_RNA) where: Base-Base interactions energy: -744.983 where: short stacking energy: -361.560 Base-Backbone interact. energy: 1.315 local terms energy: -575.216207 where: bonds (distance) C4'-P energy: -145.137 bonds (distance) P-C4' energy: -157.860 flat angles C4'-P-C4' energy: -148.123 flat angles P-C4'-P energy: -85.578 tors. eta vs tors. theta energy: -38.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -873.719167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.719167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.719167 (E_RNA) where: Base-Base interactions energy: -377.164 where: short stacking energy: -191.887 Base-Backbone interact. energy: -1.584 local terms energy: -494.971045 where: bonds (distance) C4'-P energy: -170.899 bonds (distance) P-C4' energy: -151.494 flat angles C4'-P-C4' energy: -113.320 flat angles P-C4'-P energy: -87.172 tors. eta vs tors. theta energy: 27.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -725.933193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.933193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.933193 (E_RNA) where: Base-Base interactions energy: -314.083 where: short stacking energy: -215.814 Base-Backbone interact. energy: 1.694 local terms energy: -413.543356 where: bonds (distance) C4'-P energy: -145.748 bonds (distance) P-C4' energy: -127.046 flat angles C4'-P-C4' energy: -105.959 flat angles P-C4'-P energy: -60.421 tors. eta vs tors. theta energy: 25.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2946.068273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.068273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.068273 (E_RNA) where: Base-Base interactions energy: -1966.392 where: short stacking energy: -869.117 Base-Backbone interact. energy: -5.172 local terms energy: -974.503606 where: bonds (distance) C4'-P energy: -178.818 bonds (distance) P-C4' energy: -182.060 flat angles C4'-P-C4' energy: -207.377 flat angles P-C4'-P energy: -138.464 tors. eta vs tors. theta energy: -267.785 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: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2803.801230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.801230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.801230 (E_RNA) where: Base-Base interactions energy: -1879.593 where: short stacking energy: -783.485 Base-Backbone interact. energy: -5.918 local terms energy: -918.289694 where: bonds (distance) C4'-P energy: -162.523 bonds (distance) P-C4' energy: -188.503 flat angles C4'-P-C4' energy: -194.530 flat angles P-C4'-P energy: -137.232 tors. eta vs tors. theta energy: -235.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2638.053423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.053423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.053423 (E_RNA) where: Base-Base interactions energy: -1744.261 where: short stacking energy: -751.909 Base-Backbone interact. energy: 5.463 local terms energy: -899.255416 where: bonds (distance) C4'-P energy: -180.754 bonds (distance) P-C4' energy: -175.274 flat angles C4'-P-C4' energy: -198.622 flat angles P-C4'-P energy: -122.484 tors. eta vs tors. theta energy: -222.122 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: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2441.192644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.192644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.192644 (E_RNA) where: Base-Base interactions energy: -1620.071 where: short stacking energy: -702.976 Base-Backbone interact. energy: -1.339 local terms energy: -819.783321 where: bonds (distance) C4'-P energy: -148.096 bonds (distance) P-C4' energy: -173.179 flat angles C4'-P-C4' energy: -176.630 flat angles P-C4'-P energy: -120.838 tors. eta vs tors. theta energy: -201.040 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: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2253.416571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.416571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.416571 (E_RNA) where: Base-Base interactions energy: -1448.465 where: short stacking energy: -654.430 Base-Backbone interact. energy: -3.583 local terms energy: -801.368439 where: bonds (distance) C4'-P energy: -151.392 bonds (distance) P-C4' energy: -190.269 flat angles C4'-P-C4' energy: -177.292 flat angles P-C4'-P energy: -110.072 tors. eta vs tors. theta energy: -172.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1701.176505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.176505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.176505 (E_RNA) where: Base-Base interactions energy: -1028.480 where: short stacking energy: -459.220 Base-Backbone interact. energy: -4.735 local terms energy: -667.961815 where: bonds (distance) C4'-P energy: -149.702 bonds (distance) P-C4' energy: -160.657 flat angles C4'-P-C4' energy: -169.664 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: -103.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1500.694096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.694096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.694096 (E_RNA) where: Base-Base interactions energy: -891.468 where: short stacking energy: -429.603 Base-Backbone interact. energy: -1.476 local terms energy: -607.749760 where: bonds (distance) C4'-P energy: -153.846 bonds (distance) P-C4' energy: -162.050 flat angles C4'-P-C4' energy: -136.284 flat angles P-C4'-P energy: -84.794 tors. eta vs tors. theta energy: -70.777 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: 8, replica: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1230.607927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.607927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.607927 (E_RNA) where: Base-Base interactions energy: -687.993 where: short stacking energy: -315.884 Base-Backbone interact. energy: -3.295 local terms energy: -539.319485 where: bonds (distance) C4'-P energy: -152.431 bonds (distance) P-C4' energy: -139.312 flat angles C4'-P-C4' energy: -139.972 flat angles P-C4'-P energy: -83.940 tors. eta vs tors. theta energy: -23.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -869.743724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.743724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.743724 (E_RNA) where: Base-Base interactions energy: -380.374 where: short stacking energy: -232.245 Base-Backbone interact. energy: 1.255 local terms energy: -490.624526 where: bonds (distance) C4'-P energy: -148.445 bonds (distance) P-C4' energy: -131.798 flat angles C4'-P-C4' energy: -145.870 flat angles P-C4'-P energy: -75.978 tors. eta vs tors. theta energy: 11.467 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: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -706.687860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.687860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.687860 (E_RNA) where: Base-Base interactions energy: -260.398 where: short stacking energy: -191.720 Base-Backbone interact. energy: -0.199 local terms energy: -446.091155 where: bonds (distance) C4'-P energy: -146.690 bonds (distance) P-C4' energy: -142.837 flat angles C4'-P-C4' energy: -116.928 flat angles P-C4'-P energy: -82.768 tors. eta vs tors. theta energy: 43.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2927.503099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.503099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.503099 (E_RNA) where: Base-Base interactions energy: -1964.771 where: short stacking energy: -881.977 Base-Backbone interact. energy: -2.974 local terms energy: -959.757716 where: bonds (distance) C4'-P energy: -171.795 bonds (distance) P-C4' energy: -172.547 flat angles C4'-P-C4' energy: -217.069 flat angles P-C4'-P energy: -140.890 tors. eta vs tors. theta energy: -257.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2798.143196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.143196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.143196 (E_RNA) where: Base-Base interactions energy: -1858.444 where: short stacking energy: -785.418 Base-Backbone interact. energy: -4.850 local terms energy: -934.849654 where: bonds (distance) C4'-P energy: -182.248 bonds (distance) P-C4' energy: -184.403 flat angles C4'-P-C4' energy: -197.931 flat angles P-C4'-P energy: -130.122 tors. eta vs tors. theta energy: -240.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2657.380722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.380722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.380722 (E_RNA) where: Base-Base interactions energy: -1760.165 where: short stacking energy: -765.624 Base-Backbone interact. energy: -4.662 local terms energy: -892.553302 where: bonds (distance) C4'-P energy: -162.785 bonds (distance) P-C4' energy: -158.912 flat angles C4'-P-C4' energy: -209.808 flat angles P-C4'-P energy: -139.193 tors. eta vs tors. theta energy: -221.855 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: 4, replica: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2448.943050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.943050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.943050 (E_RNA) where: Base-Base interactions energy: -1627.592 where: short stacking energy: -712.304 Base-Backbone interact. energy: -3.312 local terms energy: -818.038598 where: bonds (distance) C4'-P energy: -165.764 bonds (distance) P-C4' energy: -170.264 flat angles C4'-P-C4' energy: -191.011 flat angles P-C4'-P energy: -108.282 tors. eta vs tors. theta energy: -182.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2287.081728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.081728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.081728 (E_RNA) where: Base-Base interactions energy: -1494.931 where: short stacking energy: -676.224 Base-Backbone interact. energy: 3.556 local terms energy: -795.706116 where: bonds (distance) C4'-P energy: -148.553 bonds (distance) P-C4' energy: -170.166 flat angles C4'-P-C4' energy: -182.877 flat angles P-C4'-P energy: -108.804 tors. eta vs tors. theta energy: -185.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1732.121946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.121946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.121946 (E_RNA) where: Base-Base interactions energy: -1054.633 where: short stacking energy: -532.479 Base-Backbone interact. energy: 2.328 local terms energy: -679.817176 where: bonds (distance) C4'-P energy: -130.160 bonds (distance) P-C4' energy: -158.019 flat angles C4'-P-C4' energy: -160.838 flat angles P-C4'-P energy: -105.044 tors. eta vs tors. theta energy: -125.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1641.722880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.722880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.722880 (E_RNA) where: Base-Base interactions energy: -968.574 where: short stacking energy: -463.288 Base-Backbone interact. energy: 0.759 local terms energy: -673.907719 where: bonds (distance) C4'-P energy: -163.475 bonds (distance) P-C4' energy: -179.270 flat angles C4'-P-C4' energy: -136.389 flat angles P-C4'-P energy: -103.902 tors. eta vs tors. theta energy: -90.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1215.470315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.470315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.470315 (E_RNA) where: Base-Base interactions energy: -649.374 where: short stacking energy: -321.784 Base-Backbone interact. energy: 2.827 local terms energy: -568.924025 where: bonds (distance) C4'-P energy: -158.188 bonds (distance) P-C4' energy: -162.387 flat angles C4'-P-C4' energy: -160.656 flat angles P-C4'-P energy: -86.708 tors. eta vs tors. theta energy: -0.986 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: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -829.008201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.008201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.008201 (E_RNA) where: Base-Base interactions energy: -356.523 where: short stacking energy: -228.911 Base-Backbone interact. energy: 1.468 local terms energy: -473.953666 where: bonds (distance) C4'-P energy: -122.818 bonds (distance) P-C4' energy: -169.243 flat angles C4'-P-C4' energy: -136.685 flat angles P-C4'-P energy: -73.505 tors. eta vs tors. theta energy: 28.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -758.523491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.523491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.523491 (E_RNA) where: Base-Base interactions energy: -262.811 where: short stacking energy: -184.879 Base-Backbone interact. energy: -0.375 local terms energy: -495.337367 where: bonds (distance) C4'-P energy: -159.515 bonds (distance) P-C4' energy: -157.625 flat angles C4'-P-C4' energy: -111.977 flat angles P-C4'-P energy: -71.990 tors. eta vs tors. theta energy: 5.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2946.373717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.373717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.373717 (E_RNA) where: Base-Base interactions energy: -1987.238 where: short stacking energy: -895.671 Base-Backbone interact. energy: -4.234 local terms energy: -954.902303 where: bonds (distance) C4'-P energy: -183.007 bonds (distance) P-C4' energy: -163.038 flat angles C4'-P-C4' energy: -204.683 flat angles P-C4'-P energy: -138.490 tors. eta vs tors. theta energy: -265.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2771.209436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.209436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.209436 (E_RNA) where: Base-Base interactions energy: -1864.287 where: short stacking energy: -768.960 Base-Backbone interact. energy: -2.551 local terms energy: -904.371092 where: bonds (distance) C4'-P energy: -180.882 bonds (distance) P-C4' energy: -180.306 flat angles C4'-P-C4' energy: -199.157 flat angles P-C4'-P energy: -112.479 tors. eta vs tors. theta energy: -231.546 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: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2644.088161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.088161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.088161 (E_RNA) where: Base-Base interactions energy: -1784.162 where: short stacking energy: -776.952 Base-Backbone interact. energy: -0.737 local terms energy: -859.188999 where: bonds (distance) C4'-P energy: -158.272 bonds (distance) P-C4' energy: -176.977 flat angles C4'-P-C4' energy: -169.574 flat angles P-C4'-P energy: -132.501 tors. eta vs tors. theta energy: -221.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2429.850576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.850576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.850576 (E_RNA) where: Base-Base interactions energy: -1608.941 where: short stacking energy: -699.778 Base-Backbone interact. energy: -2.346 local terms energy: -818.563793 where: bonds (distance) C4'-P energy: -165.121 bonds (distance) P-C4' energy: -170.584 flat angles C4'-P-C4' energy: -178.889 flat angles P-C4'-P energy: -115.317 tors. eta vs tors. theta energy: -188.652 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: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2215.900634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.900634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.900634 (E_RNA) where: Base-Base interactions energy: -1472.413 where: short stacking energy: -625.734 Base-Backbone interact. energy: -2.328 local terms energy: -741.159398 where: bonds (distance) C4'-P energy: -150.197 bonds (distance) P-C4' energy: -140.338 flat angles C4'-P-C4' energy: -174.765 flat angles P-C4'-P energy: -122.655 tors. eta vs tors. theta energy: -153.204 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: 6, replica: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1757.823439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.823439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.823439 (E_RNA) where: Base-Base interactions energy: -1020.370 where: short stacking energy: -483.106 Base-Backbone interact. energy: 0.948 local terms energy: -738.401413 where: bonds (distance) C4'-P energy: -164.235 bonds (distance) P-C4' energy: -180.446 flat angles C4'-P-C4' energy: -174.115 flat angles P-C4'-P energy: -102.134 tors. eta vs tors. theta energy: -117.471 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: 164 Temperature: 1.200000 Total energy: -1729.343698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.343698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.343698 (E_RNA) where: Base-Base interactions energy: -1053.389 where: short stacking energy: -479.661 Base-Backbone interact. energy: -0.389 local terms energy: -675.565754 where: bonds (distance) C4'-P energy: -155.468 bonds (distance) P-C4' energy: -162.484 flat angles C4'-P-C4' energy: -163.345 flat angles P-C4'-P energy: -94.677 tors. eta vs tors. theta energy: -99.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1221.906407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.906407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.906407 (E_RNA) where: Base-Base interactions energy: -687.388 where: short stacking energy: -374.640 Base-Backbone interact. energy: -2.634 local terms energy: -531.885171 where: bonds (distance) C4'-P energy: -131.373 bonds (distance) P-C4' energy: -138.816 flat angles C4'-P-C4' energy: -142.474 flat angles P-C4'-P energy: -84.540 tors. eta vs tors. theta energy: -34.682 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: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -810.964363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.964363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.964363 (E_RNA) where: Base-Base interactions energy: -348.436 where: short stacking energy: -207.931 Base-Backbone interact. energy: -4.864 local terms energy: -457.664508 where: bonds (distance) C4'-P energy: -141.911 bonds (distance) P-C4' energy: -155.790 flat angles C4'-P-C4' energy: -124.860 flat angles P-C4'-P energy: -64.841 tors. eta vs tors. theta energy: 29.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -734.528809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.528809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.528809 (E_RNA) where: Base-Base interactions energy: -268.000 where: short stacking energy: -184.993 Base-Backbone interact. energy: -2.577 local terms energy: -463.951975 where: bonds (distance) C4'-P energy: -146.651 bonds (distance) P-C4' energy: -155.920 flat angles C4'-P-C4' energy: -130.185 flat angles P-C4'-P energy: -66.626 tors. eta vs tors. theta energy: 35.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2933.717779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.717779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.717779 (E_RNA) where: Base-Base interactions energy: -1961.251 where: short stacking energy: -862.627 Base-Backbone interact. energy: -4.280 local terms energy: -968.186875 where: bonds (distance) C4'-P energy: -167.342 bonds (distance) P-C4' energy: -195.336 flat angles C4'-P-C4' energy: -224.521 flat angles P-C4'-P energy: -122.226 tors. eta vs tors. theta energy: -258.762 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: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2797.144946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.144946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.144946 (E_RNA) where: Base-Base interactions energy: -1920.863 where: short stacking energy: -803.594 Base-Backbone interact. energy: 2.340 local terms energy: -878.622191 where: bonds (distance) C4'-P energy: -154.040 bonds (distance) P-C4' energy: -172.976 flat angles C4'-P-C4' energy: -188.273 flat angles P-C4'-P energy: -136.242 tors. eta vs tors. theta energy: -227.091 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: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2607.412419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.412419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.412419 (E_RNA) where: Base-Base interactions energy: -1735.362 where: short stacking energy: -741.238 Base-Backbone interact. energy: -2.516 local terms energy: -869.535284 where: bonds (distance) C4'-P energy: -161.867 bonds (distance) P-C4' energy: -182.614 flat angles C4'-P-C4' energy: -195.221 flat angles P-C4'-P energy: -114.202 tors. eta vs tors. theta energy: -215.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2418.206720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.206720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.206720 (E_RNA) where: Base-Base interactions energy: -1607.677 where: short stacking energy: -689.475 Base-Backbone interact. energy: 0.207 local terms energy: -810.736873 where: bonds (distance) C4'-P energy: -159.661 bonds (distance) P-C4' energy: -149.320 flat angles C4'-P-C4' energy: -180.754 flat angles P-C4'-P energy: -124.037 tors. eta vs tors. theta energy: -196.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2227.319477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.319477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.319477 (E_RNA) where: Base-Base interactions energy: -1453.141 where: short stacking energy: -635.790 Base-Backbone interact. energy: -0.217 local terms energy: -773.961622 where: bonds (distance) C4'-P energy: -162.422 bonds (distance) P-C4' energy: -150.436 flat angles C4'-P-C4' energy: -172.670 flat angles P-C4'-P energy: -110.327 tors. eta vs tors. theta energy: -178.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1875.133502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.133502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.133502 (E_RNA) where: Base-Base interactions energy: -1152.113 where: short stacking energy: -559.452 Base-Backbone interact. energy: 0.566 local terms energy: -723.586245 where: bonds (distance) C4'-P energy: -150.350 bonds (distance) P-C4' energy: -149.695 flat angles C4'-P-C4' energy: -190.488 flat angles P-C4'-P energy: -91.872 tors. eta vs tors. theta energy: -141.182 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: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1674.457386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.457386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.457386 (E_RNA) where: Base-Base interactions energy: -1043.823 where: short stacking energy: -497.239 Base-Backbone interact. energy: -1.776 local terms energy: -628.858355 where: bonds (distance) C4'-P energy: -135.860 bonds (distance) P-C4' energy: -131.065 flat angles C4'-P-C4' energy: -164.683 flat angles P-C4'-P energy: -96.938 tors. eta vs tors. theta energy: -100.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1166.791369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.791369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.791369 (E_RNA) where: Base-Base interactions energy: -626.285 where: short stacking energy: -294.500 Base-Backbone interact. energy: 1.106 local terms energy: -541.612003 where: bonds (distance) C4'-P energy: -154.862 bonds (distance) P-C4' energy: -166.533 flat angles C4'-P-C4' energy: -117.396 flat angles P-C4'-P energy: -88.120 tors. eta vs tors. theta energy: -14.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -843.869703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.869703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.869703 (E_RNA) where: Base-Base interactions energy: -333.183 where: short stacking energy: -222.929 Base-Backbone interact. energy: 4.730 local terms energy: -515.416284 where: bonds (distance) C4'-P energy: -148.191 bonds (distance) P-C4' energy: -152.824 flat angles C4'-P-C4' energy: -160.450 flat angles P-C4'-P energy: -65.376 tors. eta vs tors. theta energy: 11.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -734.025293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.025293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.025293 (E_RNA) where: Base-Base interactions energy: -313.759 where: short stacking energy: -186.568 Base-Backbone interact. energy: 0.481 local terms energy: -420.747086 where: bonds (distance) C4'-P energy: -120.680 bonds (distance) P-C4' energy: -143.811 flat angles C4'-P-C4' energy: -110.499 flat angles P-C4'-P energy: -72.513 tors. eta vs tors. theta energy: 26.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2956.844731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.844731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.844731 (E_RNA) where: Base-Base interactions energy: -1995.343 where: short stacking energy: -859.513 Base-Backbone interact. energy: -3.252 local terms energy: -958.249833 where: bonds (distance) C4'-P energy: -177.126 bonds (distance) P-C4' energy: -180.277 flat angles C4'-P-C4' energy: -213.133 flat angles P-C4'-P energy: -128.432 tors. eta vs tors. theta energy: -259.282 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: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2790.554845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.554845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.554845 (E_RNA) where: Base-Base interactions energy: -1883.840 where: short stacking energy: -808.900 Base-Backbone interact. energy: -4.426 local terms energy: -902.288780 where: bonds (distance) C4'-P energy: -170.378 bonds (distance) P-C4' energy: -165.852 flat angles C4'-P-C4' energy: -198.265 flat angles P-C4'-P energy: -130.450 tors. eta vs tors. theta energy: -237.344 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: 166 Temperature: 1.000000 Total energy: -2606.838496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.838496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.838496 (E_RNA) where: Base-Base interactions energy: -1735.091 where: short stacking energy: -771.526 Base-Backbone interact. energy: -1.175 local terms energy: -870.572175 where: bonds (distance) C4'-P energy: -167.248 bonds (distance) P-C4' energy: -175.146 flat angles C4'-P-C4' energy: -192.932 flat angles P-C4'-P energy: -110.688 tors. eta vs tors. theta energy: -224.559 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: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2479.365912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.365912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.365912 (E_RNA) where: Base-Base interactions energy: -1651.086 where: short stacking energy: -715.382 Base-Backbone interact. energy: -3.791 local terms energy: -824.488950 where: bonds (distance) C4'-P energy: -161.965 bonds (distance) P-C4' energy: -180.098 flat angles C4'-P-C4' energy: -190.179 flat angles P-C4'-P energy: -99.859 tors. eta vs tors. theta energy: -192.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2200.426965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.426965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.426965 (E_RNA) where: Base-Base interactions energy: -1433.637 where: short stacking energy: -633.670 Base-Backbone interact. energy: 2.263 local terms energy: -769.053119 where: bonds (distance) C4'-P energy: -151.511 bonds (distance) P-C4' energy: -162.715 flat angles C4'-P-C4' energy: -172.770 flat angles P-C4'-P energy: -108.912 tors. eta vs tors. theta energy: -173.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1777.157624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.157624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.157624 (E_RNA) where: Base-Base interactions energy: -1082.963 where: short stacking energy: -490.486 Base-Backbone interact. energy: 1.047 local terms energy: -695.242233 where: bonds (distance) C4'-P energy: -163.599 bonds (distance) P-C4' energy: -170.527 flat angles C4'-P-C4' energy: -160.259 flat angles P-C4'-P energy: -90.190 tors. eta vs tors. theta energy: -110.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1618.847861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.847861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.847861 (E_RNA) where: Base-Base interactions energy: -960.317 where: short stacking energy: -437.365 Base-Backbone interact. energy: -0.043 local terms energy: -658.488388 where: bonds (distance) C4'-P energy: -147.098 bonds (distance) P-C4' energy: -155.966 flat angles C4'-P-C4' energy: -183.280 flat angles P-C4'-P energy: -88.740 tors. eta vs tors. theta energy: -83.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1194.609700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.609700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.609700 (E_RNA) where: Base-Base interactions energy: -671.098 where: short stacking energy: -319.284 Base-Backbone interact. energy: 3.997 local terms energy: -527.508679 where: bonds (distance) C4'-P energy: -133.029 bonds (distance) P-C4' energy: -151.004 flat angles C4'-P-C4' energy: -130.358 flat angles P-C4'-P energy: -87.512 tors. eta vs tors. theta energy: -25.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -881.223304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.223304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.223304 (E_RNA) where: Base-Base interactions energy: -359.273 where: short stacking energy: -200.155 Base-Backbone interact. energy: -1.317 local terms energy: -520.633360 where: bonds (distance) C4'-P energy: -152.908 bonds (distance) P-C4' energy: -154.590 flat angles C4'-P-C4' energy: -143.564 flat angles P-C4'-P energy: -82.598 tors. eta vs tors. theta energy: 13.026 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: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -763.699874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.699874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.699874 (E_RNA) where: Base-Base interactions energy: -306.641 where: short stacking energy: -184.194 Base-Backbone interact. energy: -0.719 local terms energy: -456.340001 where: bonds (distance) C4'-P energy: -139.098 bonds (distance) P-C4' energy: -156.769 flat angles C4'-P-C4' energy: -111.947 flat angles P-C4'-P energy: -83.996 tors. eta vs tors. theta energy: 35.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2944.397552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.397552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.397552 (E_RNA) where: Base-Base interactions energy: -2005.821 where: short stacking energy: -851.769 Base-Backbone interact. energy: 5.405 local terms energy: -943.981559 where: bonds (distance) C4'-P energy: -177.335 bonds (distance) P-C4' energy: -179.706 flat angles C4'-P-C4' energy: -203.078 flat angles P-C4'-P energy: -125.745 tors. eta vs tors. theta energy: -258.118 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: 2, replica: 6 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2775.747201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.747201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.747201 (E_RNA) where: Base-Base interactions energy: -1867.715 where: short stacking energy: -807.696 Base-Backbone interact. energy: 1.858 local terms energy: -909.890722 where: bonds (distance) C4'-P energy: -170.273 bonds (distance) P-C4' energy: -169.775 flat angles C4'-P-C4' energy: -204.584 flat angles P-C4'-P energy: -128.158 tors. eta vs tors. theta energy: -237.101 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: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2611.189674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.189674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.189674 (E_RNA) where: Base-Base interactions energy: -1748.826 where: short stacking energy: -761.505 Base-Backbone interact. energy: -2.979 local terms energy: -859.384782 where: bonds (distance) C4'-P energy: -149.842 bonds (distance) P-C4' energy: -185.132 flat angles C4'-P-C4' energy: -194.921 flat angles P-C4'-P energy: -104.802 tors. eta vs tors. theta energy: -224.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2474.878793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.878793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.878793 (E_RNA) where: Base-Base interactions energy: -1659.863 where: short stacking energy: -710.957 Base-Backbone interact. energy: -3.365 local terms energy: -811.650597 where: bonds (distance) C4'-P energy: -169.419 bonds (distance) P-C4' energy: -144.514 flat angles C4'-P-C4' energy: -178.022 flat angles P-C4'-P energy: -120.553 tors. eta vs tors. theta energy: -199.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2284.900473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.900473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.900473 (E_RNA) where: Base-Base interactions energy: -1487.851 where: short stacking energy: -644.152 Base-Backbone interact. energy: -1.923 local terms energy: -795.126710 where: bonds (distance) C4'-P energy: -139.593 bonds (distance) P-C4' energy: -182.031 flat angles C4'-P-C4' energy: -184.379 flat angles P-C4'-P energy: -121.749 tors. eta vs tors. theta energy: -167.375 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: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1812.120799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.120799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.120799 (E_RNA) where: Base-Base interactions energy: -1114.111 where: short stacking energy: -520.834 Base-Backbone interact. energy: -3.046 local terms energy: -694.963101 where: bonds (distance) C4'-P energy: -142.940 bonds (distance) P-C4' energy: -173.193 flat angles C4'-P-C4' energy: -159.641 flat angles P-C4'-P energy: -101.291 tors. eta vs tors. theta energy: -117.898 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: 7, replica: 10 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1630.780876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.780876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.780876 (E_RNA) where: Base-Base interactions energy: -966.781 where: short stacking energy: -457.495 Base-Backbone interact. energy: -2.055 local terms energy: -661.944691 where: bonds (distance) C4'-P energy: -165.189 bonds (distance) P-C4' energy: -154.229 flat angles C4'-P-C4' energy: -163.359 flat angles P-C4'-P energy: -93.593 tors. eta vs tors. theta energy: -85.576 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: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1292.787888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.787888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.787888 (E_RNA) where: Base-Base interactions energy: -686.114 where: short stacking energy: -360.374 Base-Backbone interact. energy: 7.574 local terms energy: -614.247910 where: bonds (distance) C4'-P energy: -140.232 bonds (distance) P-C4' energy: -166.261 flat angles C4'-P-C4' energy: -164.546 flat angles P-C4'-P energy: -87.324 tors. eta vs tors. theta energy: -55.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -847.610149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.610149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.610149 (E_RNA) where: Base-Base interactions energy: -374.412 where: short stacking energy: -227.853 Base-Backbone interact. energy: -1.603 local terms energy: -471.595527 where: bonds (distance) C4'-P energy: -139.833 bonds (distance) P-C4' energy: -164.182 flat angles C4'-P-C4' energy: -127.299 flat angles P-C4'-P energy: -73.930 tors. eta vs tors. theta energy: 33.648 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: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -739.024047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.024047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.024047 (E_RNA) where: Base-Base interactions energy: -303.809 where: short stacking energy: -201.631 Base-Backbone interact. energy: 1.277 local terms energy: -436.492264 where: bonds (distance) C4'-P energy: -127.588 bonds (distance) P-C4' energy: -150.982 flat angles C4'-P-C4' energy: -136.935 flat angles P-C4'-P energy: -47.735 tors. eta vs tors. theta energy: 26.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2937.461301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.461301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.461301 (E_RNA) where: Base-Base interactions energy: -1988.864 where: short stacking energy: -821.603 Base-Backbone interact. energy: -2.697 local terms energy: -945.900449 where: bonds (distance) C4'-P energy: -179.249 bonds (distance) P-C4' energy: -181.719 flat angles C4'-P-C4' energy: -203.216 flat angles P-C4'-P energy: -121.871 tors. eta vs tors. theta energy: -259.845 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: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2746.606862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.606862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.606862 (E_RNA) where: Base-Base interactions energy: -1842.639 where: short stacking energy: -784.006 Base-Backbone interact. energy: -0.861 local terms energy: -903.106886 where: bonds (distance) C4'-P energy: -158.191 bonds (distance) P-C4' energy: -166.072 flat angles C4'-P-C4' energy: -201.838 flat angles P-C4'-P energy: -144.480 tors. eta vs tors. theta energy: -232.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2564.196020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.196020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.196020 (E_RNA) where: Base-Base interactions energy: -1705.049 where: short stacking energy: -715.956 Base-Backbone interact. energy: -3.040 local terms energy: -856.107527 where: bonds (distance) C4'-P energy: -163.580 bonds (distance) P-C4' energy: -164.447 flat angles C4'-P-C4' energy: -191.917 flat angles P-C4'-P energy: -123.808 tors. eta vs tors. theta energy: -212.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2420.181540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.181540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.181540 (E_RNA) where: Base-Base interactions energy: -1584.138 where: short stacking energy: -694.438 Base-Backbone interact. energy: -0.530 local terms energy: -835.513947 where: bonds (distance) C4'-P energy: -169.171 bonds (distance) P-C4' energy: -178.673 flat angles C4'-P-C4' energy: -178.544 flat angles P-C4'-P energy: -107.983 tors. eta vs tors. theta energy: -201.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2322.212820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.212820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.212820 (E_RNA) where: Base-Base interactions energy: -1541.226 where: short stacking energy: -650.406 Base-Backbone interact. energy: -0.023 local terms energy: -780.963108 where: bonds (distance) C4'-P energy: -159.541 bonds (distance) P-C4' energy: -179.887 flat angles C4'-P-C4' energy: -169.283 flat angles P-C4'-P energy: -104.934 tors. eta vs tors. theta energy: -167.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1786.319942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.319942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.319942 (E_RNA) where: Base-Base interactions energy: -1111.017 where: short stacking energy: -513.632 Base-Backbone interact. energy: -0.686 local terms energy: -674.616728 where: bonds (distance) C4'-P energy: -147.125 bonds (distance) P-C4' energy: -156.616 flat angles C4'-P-C4' energy: -164.519 flat angles P-C4'-P energy: -89.721 tors. eta vs tors. theta energy: -116.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1624.567385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.567385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.567385 (E_RNA) where: Base-Base interactions energy: -978.204 where: short stacking energy: -465.366 Base-Backbone interact. energy: 3.828 local terms energy: -650.191692 where: bonds (distance) C4'-P energy: -139.366 bonds (distance) P-C4' energy: -158.156 flat angles C4'-P-C4' energy: -145.259 flat angles P-C4'-P energy: -103.897 tors. eta vs tors. theta energy: -103.514 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: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1159.871575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.871575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.871575 (E_RNA) where: Base-Base interactions energy: -620.938 where: short stacking energy: -338.395 Base-Backbone interact. energy: -0.038 local terms energy: -538.896195 where: bonds (distance) C4'-P energy: -134.719 bonds (distance) P-C4' energy: -148.339 flat angles C4'-P-C4' energy: -133.448 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -27.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -868.321204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.321204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.321204 (E_RNA) where: Base-Base interactions energy: -353.643 where: short stacking energy: -188.086 Base-Backbone interact. energy: 8.531 local terms energy: -523.208880 where: bonds (distance) C4'-P energy: -148.900 bonds (distance) P-C4' energy: -171.809 flat angles C4'-P-C4' energy: -141.459 flat angles P-C4'-P energy: -86.653 tors. eta vs tors. theta energy: 25.613 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: 5 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -738.656839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.656839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.656839 (E_RNA) where: Base-Base interactions energy: -277.346 where: short stacking energy: -186.821 Base-Backbone interact. energy: 0.384 local terms energy: -461.694111 where: bonds (distance) C4'-P energy: -124.866 bonds (distance) P-C4' energy: -143.140 flat angles C4'-P-C4' energy: -148.878 flat angles P-C4'-P energy: -76.142 tors. eta vs tors. theta energy: 31.332 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: 169 Temperature: 0.900000 Total energy: -2965.174750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.174750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.174750 (E_RNA) where: Base-Base interactions energy: -1997.523 where: short stacking energy: -869.697 Base-Backbone interact. energy: -7.978 local terms energy: -959.673577 where: bonds (distance) C4'-P energy: -174.981 bonds (distance) P-C4' energy: -182.997 flat angles C4'-P-C4' energy: -200.791 flat angles P-C4'-P energy: -140.209 tors. eta vs tors. theta energy: -260.695 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: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2773.758194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.758194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.758194 (E_RNA) where: Base-Base interactions energy: -1850.252 where: short stacking energy: -799.606 Base-Backbone interact. energy: 0.330 local terms energy: -923.837000 where: bonds (distance) C4'-P energy: -176.446 bonds (distance) P-C4' energy: -175.235 flat angles C4'-P-C4' energy: -200.375 flat angles P-C4'-P energy: -127.278 tors. eta vs tors. theta energy: -244.503 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: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2664.908731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.908731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.908731 (E_RNA) where: Base-Base interactions energy: -1768.361 where: short stacking energy: -760.489 Base-Backbone interact. energy: -3.854 local terms energy: -892.694545 where: bonds (distance) C4'-P energy: -167.502 bonds (distance) P-C4' energy: -186.503 flat angles C4'-P-C4' energy: -204.462 flat angles P-C4'-P energy: -115.750 tors. eta vs tors. theta energy: -218.478 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: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2495.304177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.304177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.304177 (E_RNA) where: Base-Base interactions energy: -1631.028 where: short stacking energy: -708.295 Base-Backbone interact. energy: -3.760 local terms energy: -860.516214 where: bonds (distance) C4'-P energy: -166.671 bonds (distance) P-C4' energy: -173.564 flat angles C4'-P-C4' energy: -182.083 flat angles P-C4'-P energy: -122.572 tors. eta vs tors. theta energy: -215.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2235.696556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.696556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.696556 (E_RNA) where: Base-Base interactions energy: -1447.922 where: short stacking energy: -639.457 Base-Backbone interact. energy: -2.276 local terms energy: -785.498242 where: bonds (distance) C4'-P energy: -166.746 bonds (distance) P-C4' energy: -163.252 flat angles C4'-P-C4' energy: -171.913 flat angles P-C4'-P energy: -119.889 tors. eta vs tors. theta energy: -163.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1774.558309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.558309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.558309 (E_RNA) where: Base-Base interactions energy: -1102.302 where: short stacking energy: -501.418 Base-Backbone interact. energy: -0.785 local terms energy: -671.471425 where: bonds (distance) C4'-P energy: -159.738 bonds (distance) P-C4' energy: -146.131 flat angles C4'-P-C4' energy: -159.610 flat angles P-C4'-P energy: -92.170 tors. eta vs tors. theta energy: -113.822 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: 10 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1622.464409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.464409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.464409 (E_RNA) where: Base-Base interactions energy: -984.286 where: short stacking energy: -500.891 Base-Backbone interact. energy: -0.912 local terms energy: -637.266925 where: bonds (distance) C4'-P energy: -149.255 bonds (distance) P-C4' energy: -153.328 flat angles C4'-P-C4' energy: -168.528 flat angles P-C4'-P energy: -75.600 tors. eta vs tors. theta energy: -90.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1103.570269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.570269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.570269 (E_RNA) where: Base-Base interactions energy: -593.230 where: short stacking energy: -317.413 Base-Backbone interact. energy: 1.845 local terms energy: -512.186006 where: bonds (distance) C4'-P energy: -140.088 bonds (distance) P-C4' energy: -152.337 flat angles C4'-P-C4' energy: -124.808 flat angles P-C4'-P energy: -73.104 tors. eta vs tors. theta energy: -21.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -895.093991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.093991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.093991 (E_RNA) where: Base-Base interactions energy: -383.664 where: short stacking energy: -242.695 Base-Backbone interact. energy: -1.281 local terms energy: -510.148781 where: bonds (distance) C4'-P energy: -139.674 bonds (distance) P-C4' energy: -153.628 flat angles C4'-P-C4' energy: -134.942 flat angles P-C4'-P energy: -78.479 tors. eta vs tors. theta energy: -3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -728.810703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.810703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.810703 (E_RNA) where: Base-Base interactions energy: -285.406 where: short stacking energy: -169.202 Base-Backbone interact. energy: 12.628 local terms energy: -456.031996 where: bonds (distance) C4'-P energy: -117.072 bonds (distance) P-C4' energy: -165.737 flat angles C4'-P-C4' energy: -147.871 flat angles P-C4'-P energy: -56.641 tors. eta vs tors. theta energy: 31.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2912.400177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.400177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.400177 (E_RNA) where: Base-Base interactions energy: -1953.612 where: short stacking energy: -831.876 Base-Backbone interact. energy: -5.209 local terms energy: -953.579041 where: bonds (distance) C4'-P energy: -174.770 bonds (distance) P-C4' energy: -202.805 flat angles C4'-P-C4' energy: -202.261 flat angles P-C4'-P energy: -128.814 tors. eta vs tors. theta energy: -244.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2730.433602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.433602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.433602 (E_RNA) where: Base-Base interactions energy: -1846.504 where: short stacking energy: -770.335 Base-Backbone interact. energy: -1.188 local terms energy: -882.741383 where: bonds (distance) C4'-P energy: -178.221 bonds (distance) P-C4' energy: -157.961 flat angles C4'-P-C4' energy: -189.654 flat angles P-C4'-P energy: -123.858 tors. eta vs tors. theta energy: -233.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2612.286407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.286407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.286407 (E_RNA) where: Base-Base interactions energy: -1717.783 where: short stacking energy: -765.753 Base-Backbone interact. energy: -1.249 local terms energy: -893.255099 where: bonds (distance) C4'-P energy: -172.358 bonds (distance) P-C4' energy: -177.184 flat angles C4'-P-C4' energy: -197.183 flat angles P-C4'-P energy: -124.713 tors. eta vs tors. theta energy: -221.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2423.050489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.050489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.050489 (E_RNA) where: Base-Base interactions energy: -1597.666 where: short stacking energy: -703.442 Base-Backbone interact. energy: -8.099 local terms energy: -817.284976 where: bonds (distance) C4'-P energy: -152.644 bonds (distance) P-C4' energy: -165.046 flat angles C4'-P-C4' energy: -191.980 flat angles P-C4'-P energy: -109.432 tors. eta vs tors. theta energy: -198.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2213.657006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.657006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.657006 (E_RNA) where: Base-Base interactions energy: -1423.039 where: short stacking energy: -633.695 Base-Backbone interact. energy: -2.347 local terms energy: -788.270861 where: bonds (distance) C4'-P energy: -175.811 bonds (distance) P-C4' energy: -172.679 flat angles C4'-P-C4' energy: -175.797 flat angles P-C4'-P energy: -92.768 tors. eta vs tors. theta energy: -171.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1793.460790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.460790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.460790 (E_RNA) where: Base-Base interactions energy: -1073.708 where: short stacking energy: -512.005 Base-Backbone interact. energy: 0.775 local terms energy: -720.527778 where: bonds (distance) C4'-P energy: -159.533 bonds (distance) P-C4' energy: -178.607 flat angles C4'-P-C4' energy: -166.017 flat angles P-C4'-P energy: -103.840 tors. eta vs tors. theta energy: -112.530 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: 10 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1586.674472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.674472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.674472 (E_RNA) where: Base-Base interactions energy: -945.342 where: short stacking energy: -410.004 Base-Backbone interact. energy: 4.489 local terms energy: -645.821511 where: bonds (distance) C4'-P energy: -118.410 bonds (distance) P-C4' energy: -178.503 flat angles C4'-P-C4' energy: -176.273 flat angles P-C4'-P energy: -97.673 tors. eta vs tors. theta energy: -74.961 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: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1141.052943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.052943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.052943 (E_RNA) where: Base-Base interactions energy: -578.069 where: short stacking energy: -309.575 Base-Backbone interact. energy: -4.486 local terms energy: -558.497992 where: bonds (distance) C4'-P energy: -154.778 bonds (distance) P-C4' energy: -165.141 flat angles C4'-P-C4' energy: -146.160 flat angles P-C4'-P energy: -79.388 tors. eta vs tors. theta energy: -13.032 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: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -866.627045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.627045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.627045 (E_RNA) where: Base-Base interactions energy: -332.480 where: short stacking energy: -208.125 Base-Backbone interact. energy: -0.022 local terms energy: -534.125435 where: bonds (distance) C4'-P energy: -157.090 bonds (distance) P-C4' energy: -182.854 flat angles C4'-P-C4' energy: -143.458 flat angles P-C4'-P energy: -64.333 tors. eta vs tors. theta energy: 13.610 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: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -722.031257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.031257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.031257 (E_RNA) where: Base-Base interactions energy: -282.658 where: short stacking energy: -187.832 Base-Backbone interact. energy: -1.277 local terms energy: -438.096072 where: bonds (distance) C4'-P energy: -128.341 bonds (distance) P-C4' energy: -131.272 flat angles C4'-P-C4' energy: -134.440 flat angles P-C4'-P energy: -79.085 tors. eta vs tors. theta energy: 35.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2939.227957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.227957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.227957 (E_RNA) where: Base-Base interactions energy: -2006.420 where: short stacking energy: -843.697 Base-Backbone interact. energy: -2.965 local terms energy: -929.843419 where: bonds (distance) C4'-P energy: -183.472 bonds (distance) P-C4' energy: -161.038 flat angles C4'-P-C4' energy: -192.138 flat angles P-C4'-P energy: -142.978 tors. eta vs tors. theta energy: -250.217 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: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2683.928261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.928261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.928261 (E_RNA) where: Base-Base interactions energy: -1785.949 where: short stacking energy: -726.845 Base-Backbone interact. energy: -3.336 local terms energy: -894.643162 where: bonds (distance) C4'-P energy: -180.689 bonds (distance) P-C4' energy: -185.333 flat angles C4'-P-C4' energy: -189.943 flat angles P-C4'-P energy: -119.518 tors. eta vs tors. theta energy: -219.160 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: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2594.502037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.502037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.502037 (E_RNA) where: Base-Base interactions energy: -1698.274 where: short stacking energy: -748.017 Base-Backbone interact. energy: -4.192 local terms energy: -892.035977 where: bonds (distance) C4'-P energy: -188.090 bonds (distance) P-C4' energy: -172.120 flat angles C4'-P-C4' energy: -185.119 flat angles P-C4'-P energy: -124.905 tors. eta vs tors. theta energy: -221.803 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: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2528.024869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.024869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.024869 (E_RNA) where: Base-Base interactions energy: -1691.692 where: short stacking energy: -742.939 Base-Backbone interact. energy: 1.207 local terms energy: -837.540792 where: bonds (distance) C4'-P energy: -167.978 bonds (distance) P-C4' energy: -161.258 flat angles C4'-P-C4' energy: -192.405 flat angles P-C4'-P energy: -116.704 tors. eta vs tors. theta energy: -199.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2326.576491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.576491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.576491 (E_RNA) where: Base-Base interactions energy: -1524.363 where: short stacking energy: -654.236 Base-Backbone interact. energy: -0.128 local terms energy: -802.085062 where: bonds (distance) C4'-P energy: -147.868 bonds (distance) P-C4' energy: -177.361 flat angles C4'-P-C4' energy: -170.385 flat angles P-C4'-P energy: -109.997 tors. eta vs tors. theta energy: -196.473 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: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1767.744826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.744826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.744826 (E_RNA) where: Base-Base interactions energy: -1086.591 where: short stacking energy: -503.969 Base-Backbone interact. energy: -3.244 local terms energy: -677.909205 where: bonds (distance) C4'-P energy: -153.699 bonds (distance) P-C4' energy: -162.955 flat angles C4'-P-C4' energy: -166.931 flat angles P-C4'-P energy: -82.984 tors. eta vs tors. theta energy: -111.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1542.735049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.735049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.735049 (E_RNA) where: Base-Base interactions energy: -912.707 where: short stacking energy: -435.945 Base-Backbone interact. energy: -1.600 local terms energy: -628.427490 where: bonds (distance) C4'-P energy: -132.456 bonds (distance) P-C4' energy: -168.990 flat angles C4'-P-C4' energy: -163.131 flat angles P-C4'-P energy: -93.583 tors. eta vs tors. theta energy: -70.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1191.465218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.465218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.465218 (E_RNA) where: Base-Base interactions energy: -591.014 where: short stacking energy: -316.195 Base-Backbone interact. energy: 6.376 local terms energy: -606.826564 where: bonds (distance) C4'-P energy: -158.498 bonds (distance) P-C4' energy: -168.789 flat angles C4'-P-C4' energy: -156.830 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: -43.559 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: 9, replica: 8 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -902.643468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.643468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.643468 (E_RNA) where: Base-Base interactions energy: -399.199 where: short stacking energy: -228.691 Base-Backbone interact. energy: -1.606 local terms energy: -501.838801 where: bonds (distance) C4'-P energy: -158.426 bonds (distance) P-C4' energy: -155.725 flat angles C4'-P-C4' energy: -113.234 flat angles P-C4'-P energy: -81.228 tors. eta vs tors. theta energy: 6.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -756.289977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.289977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.289977 (E_RNA) where: Base-Base interactions energy: -312.565 where: short stacking energy: -207.034 Base-Backbone interact. energy: -3.660 local terms energy: -440.064582 where: bonds (distance) C4'-P energy: -132.006 bonds (distance) P-C4' energy: -138.813 flat angles C4'-P-C4' energy: -128.008 flat angles P-C4'-P energy: -68.047 tors. eta vs tors. theta energy: 26.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2902.792620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.792620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.792620 (E_RNA) where: Base-Base interactions energy: -1964.594 where: short stacking energy: -829.244 Base-Backbone interact. energy: -2.973 local terms energy: -935.226101 where: bonds (distance) C4'-P energy: -187.129 bonds (distance) P-C4' energy: -166.716 flat angles C4'-P-C4' energy: -208.031 flat angles P-C4'-P energy: -134.838 tors. eta vs tors. theta energy: -238.512 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: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2702.576833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.576833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.576833 (E_RNA) where: Base-Base interactions energy: -1789.584 where: short stacking energy: -782.495 Base-Backbone interact. energy: -3.892 local terms energy: -909.101393 where: bonds (distance) C4'-P energy: -154.844 bonds (distance) P-C4' energy: -186.878 flat angles C4'-P-C4' energy: -198.580 flat angles P-C4'-P energy: -131.610 tors. eta vs tors. theta energy: -237.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2637.185527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.185527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.185527 (E_RNA) where: Base-Base interactions energy: -1786.365 where: short stacking energy: -742.781 Base-Backbone interact. energy: 0.316 local terms energy: -851.136495 where: bonds (distance) C4'-P energy: -149.235 bonds (distance) P-C4' energy: -167.773 flat angles C4'-P-C4' energy: -206.617 flat angles P-C4'-P energy: -120.956 tors. eta vs tors. theta energy: -206.556 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: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2438.121839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.121839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.121839 (E_RNA) where: Base-Base interactions energy: -1613.718 where: short stacking energy: -729.897 Base-Backbone interact. energy: -3.604 local terms energy: -820.799831 where: bonds (distance) C4'-P energy: -160.801 bonds (distance) P-C4' energy: -157.611 flat angles C4'-P-C4' energy: -181.834 flat angles P-C4'-P energy: -124.134 tors. eta vs tors. theta energy: -196.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2271.542738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.542738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.542738 (E_RNA) where: Base-Base interactions energy: -1478.893 where: short stacking energy: -659.746 Base-Backbone interact. energy: 1.299 local terms energy: -793.948971 where: bonds (distance) C4'-P energy: -154.334 bonds (distance) P-C4' energy: -158.838 flat angles C4'-P-C4' energy: -182.892 flat angles P-C4'-P energy: -115.003 tors. eta vs tors. theta energy: -182.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1801.684979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.684979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.684979 (E_RNA) where: Base-Base interactions energy: -1070.877 where: short stacking energy: -514.614 Base-Backbone interact. energy: -0.140 local terms energy: -730.667289 where: bonds (distance) C4'-P energy: -163.707 bonds (distance) P-C4' energy: -157.980 flat angles C4'-P-C4' energy: -172.276 flat angles P-C4'-P energy: -109.453 tors. eta vs tors. theta energy: -127.252 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: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1595.104074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.104074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.104074 (E_RNA) where: Base-Base interactions energy: -942.229 where: short stacking energy: -465.439 Base-Backbone interact. energy: -2.611 local terms energy: -650.263915 where: bonds (distance) C4'-P energy: -157.388 bonds (distance) P-C4' energy: -179.168 flat angles C4'-P-C4' energy: -156.263 flat angles P-C4'-P energy: -89.689 tors. eta vs tors. theta energy: -67.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1217.603404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.603404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.603404 (E_RNA) where: Base-Base interactions energy: -667.822 where: short stacking energy: -322.707 Base-Backbone interact. energy: -1.825 local terms energy: -547.956581 where: bonds (distance) C4'-P energy: -161.526 bonds (distance) P-C4' energy: -146.611 flat angles C4'-P-C4' energy: -118.999 flat angles P-C4'-P energy: -83.120 tors. eta vs tors. theta energy: -37.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -827.980557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.980557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.980557 (E_RNA) where: Base-Base interactions energy: -377.650 where: short stacking energy: -227.035 Base-Backbone interact. energy: 1.590 local terms energy: -451.920631 where: bonds (distance) C4'-P energy: -132.133 bonds (distance) P-C4' energy: -158.482 flat angles C4'-P-C4' energy: -113.819 flat angles P-C4'-P energy: -80.919 tors. eta vs tors. theta energy: 33.432 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: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -800.818340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.818340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.818340 (E_RNA) where: Base-Base interactions energy: -319.927 where: short stacking energy: -209.562 Base-Backbone interact. energy: 0.283 local terms energy: -481.174387 where: bonds (distance) C4'-P energy: -133.423 bonds (distance) P-C4' energy: -152.773 flat angles C4'-P-C4' energy: -135.899 flat angles P-C4'-P energy: -75.872 tors. eta vs tors. theta energy: 16.791 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: 1, replica: 9 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3002.746441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.746441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.746441 (E_RNA) where: Base-Base interactions energy: -2052.353 where: short stacking energy: -867.701 Base-Backbone interact. energy: -0.044 local terms energy: -950.349090 where: bonds (distance) C4'-P energy: -165.513 bonds (distance) P-C4' energy: -173.796 flat angles C4'-P-C4' energy: -213.929 flat angles P-C4'-P energy: -137.829 tors. eta vs tors. theta energy: -259.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2712.303729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.303729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.303729 (E_RNA) where: Base-Base interactions energy: -1814.098 where: short stacking energy: -710.215 Base-Backbone interact. energy: -5.697 local terms energy: -892.509331 where: bonds (distance) C4'-P energy: -172.399 bonds (distance) P-C4' energy: -178.589 flat angles C4'-P-C4' energy: -188.975 flat angles P-C4'-P energy: -133.888 tors. eta vs tors. theta energy: -218.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2609.401221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.401221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.401221 (E_RNA) where: Base-Base interactions energy: -1735.351 where: short stacking energy: -747.862 Base-Backbone interact. energy: -3.345 local terms energy: -870.705463 where: bonds (distance) C4'-P energy: -183.352 bonds (distance) P-C4' energy: -160.866 flat angles C4'-P-C4' energy: -185.632 flat angles P-C4'-P energy: -126.744 tors. eta vs tors. theta energy: -214.111 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: 4, replica: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2446.200466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.200466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.200466 (E_RNA) where: Base-Base interactions energy: -1594.691 where: short stacking energy: -691.039 Base-Backbone interact. energy: -4.016 local terms energy: -847.493337 where: bonds (distance) C4'-P energy: -171.559 bonds (distance) P-C4' energy: -163.103 flat angles C4'-P-C4' energy: -197.766 flat angles P-C4'-P energy: -123.374 tors. eta vs tors. theta energy: -191.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2338.136037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.136037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.136037 (E_RNA) where: Base-Base interactions energy: -1539.667 where: short stacking energy: -672.497 Base-Backbone interact. energy: -1.438 local terms energy: -797.031376 where: bonds (distance) C4'-P energy: -153.130 bonds (distance) P-C4' energy: -160.900 flat angles C4'-P-C4' energy: -173.375 flat angles P-C4'-P energy: -126.697 tors. eta vs tors. theta energy: -182.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1746.237993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.237993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.237993 (E_RNA) where: Base-Base interactions energy: -1101.502 where: short stacking energy: -505.974 Base-Backbone interact. energy: 1.218 local terms energy: -645.954314 where: bonds (distance) C4'-P energy: -146.940 bonds (distance) P-C4' energy: -141.036 flat angles C4'-P-C4' energy: -161.747 flat angles P-C4'-P energy: -95.622 tors. eta vs tors. theta energy: -100.608 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: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1664.108083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.108083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.108083 (E_RNA) where: Base-Base interactions energy: -1008.235 where: short stacking energy: -441.197 Base-Backbone interact. energy: -2.390 local terms energy: -653.483270 where: bonds (distance) C4'-P energy: -153.766 bonds (distance) P-C4' energy: -156.931 flat angles C4'-P-C4' energy: -154.417 flat angles P-C4'-P energy: -107.210 tors. eta vs tors. theta energy: -81.160 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: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1230.642468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.642468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.642468 (E_RNA) where: Base-Base interactions energy: -683.141 where: short stacking energy: -330.540 Base-Backbone interact. energy: 2.490 local terms energy: -549.992361 where: bonds (distance) C4'-P energy: -129.679 bonds (distance) P-C4' energy: -178.365 flat angles C4'-P-C4' energy: -148.613 flat angles P-C4'-P energy: -65.089 tors. eta vs tors. theta energy: -28.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -858.454425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.454425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.454425 (E_RNA) where: Base-Base interactions energy: -353.403 where: short stacking energy: -242.007 Base-Backbone interact. energy: 6.009 local terms energy: -511.060180 where: bonds (distance) C4'-P energy: -141.660 bonds (distance) P-C4' energy: -157.658 flat angles C4'-P-C4' energy: -145.333 flat angles P-C4'-P energy: -93.079 tors. eta vs tors. theta energy: 26.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -808.887262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.887262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.887262 (E_RNA) where: Base-Base interactions energy: -347.424 where: short stacking energy: -213.781 Base-Backbone interact. energy: -1.384 local terms energy: -460.079037 where: bonds (distance) C4'-P energy: -151.816 bonds (distance) P-C4' energy: -147.132 flat angles C4'-P-C4' energy: -128.101 flat angles P-C4'-P energy: -70.427 tors. eta vs tors. theta energy: 37.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3003.796100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.796100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.796100 (E_RNA) where: Base-Base interactions energy: -2025.638 where: short stacking energy: -867.682 Base-Backbone interact. energy: -2.948 local terms energy: -975.210201 where: bonds (distance) C4'-P energy: -179.751 bonds (distance) P-C4' energy: -194.387 flat angles C4'-P-C4' energy: -213.711 flat angles P-C4'-P energy: -126.050 tors. eta vs tors. theta energy: -261.311 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: 174 Temperature: 0.950000 Total energy: -2756.495639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.495639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.495639 (E_RNA) where: Base-Base interactions energy: -1844.532 where: short stacking energy: -775.485 Base-Backbone interact. energy: -1.397 local terms energy: -910.566661 where: bonds (distance) C4'-P energy: -178.922 bonds (distance) P-C4' energy: -164.858 flat angles C4'-P-C4' energy: -201.187 flat angles P-C4'-P energy: -129.797 tors. eta vs tors. theta energy: -235.803 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: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2664.895634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.895634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.895634 (E_RNA) where: Base-Base interactions energy: -1804.584 where: short stacking energy: -783.071 Base-Backbone interact. energy: -2.328 local terms energy: -857.983879 where: bonds (distance) C4'-P energy: -170.667 bonds (distance) P-C4' energy: -164.973 flat angles C4'-P-C4' energy: -200.633 flat angles P-C4'-P energy: -113.215 tors. eta vs tors. theta energy: -208.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2513.714803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.714803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.714803 (E_RNA) where: Base-Base interactions energy: -1680.635 where: short stacking energy: -687.442 Base-Backbone interact. energy: -0.453 local terms energy: -832.627428 where: bonds (distance) C4'-P energy: -167.353 bonds (distance) P-C4' energy: -175.264 flat angles C4'-P-C4' energy: -152.830 flat angles P-C4'-P energy: -122.086 tors. eta vs tors. theta energy: -215.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2209.438570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.438570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.438570 (E_RNA) where: Base-Base interactions energy: -1438.340 where: short stacking energy: -636.431 Base-Backbone interact. energy: -3.805 local terms energy: -767.293775 where: bonds (distance) C4'-P energy: -155.548 bonds (distance) P-C4' energy: -157.948 flat angles C4'-P-C4' energy: -172.666 flat angles P-C4'-P energy: -126.480 tors. eta vs tors. theta energy: -154.653 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: 6, replica: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1662.431342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.431342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.431342 (E_RNA) where: Base-Base interactions energy: -1015.638 where: short stacking energy: -474.309 Base-Backbone interact. energy: 5.855 local terms energy: -652.648648 where: bonds (distance) C4'-P energy: -154.547 bonds (distance) P-C4' energy: -161.806 flat angles C4'-P-C4' energy: -156.964 flat angles P-C4'-P energy: -94.837 tors. eta vs tors. theta energy: -84.495 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: 10 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1667.165464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.165464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.165464 (E_RNA) where: Base-Base interactions energy: -996.577 where: short stacking energy: -483.663 Base-Backbone interact. energy: -4.245 local terms energy: -666.343693 where: bonds (distance) C4'-P energy: -156.466 bonds (distance) P-C4' energy: -163.184 flat angles C4'-P-C4' energy: -144.108 flat angles P-C4'-P energy: -106.377 tors. eta vs tors. theta energy: -96.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1289.334047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.334047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.334047 (E_RNA) where: Base-Base interactions energy: -696.829 where: short stacking energy: -341.340 Base-Backbone interact. energy: 4.298 local terms energy: -596.803030 where: bonds (distance) C4'-P energy: -146.956 bonds (distance) P-C4' energy: -180.589 flat angles C4'-P-C4' energy: -173.207 flat angles P-C4'-P energy: -67.898 tors. eta vs tors. theta energy: -28.153 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: 8 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -845.816439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.816439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.816439 (E_RNA) where: Base-Base interactions energy: -353.556 where: short stacking energy: -215.697 Base-Backbone interact. energy: 9.242 local terms energy: -501.502475 where: bonds (distance) C4'-P energy: -147.340 bonds (distance) P-C4' energy: -148.915 flat angles C4'-P-C4' energy: -134.776 flat angles P-C4'-P energy: -85.334 tors. eta vs tors. theta energy: 14.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -733.871919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.871919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.871919 (E_RNA) where: Base-Base interactions energy: -286.949 where: short stacking energy: -170.800 Base-Backbone interact. energy: 4.118 local terms energy: -451.040220 where: bonds (distance) C4'-P energy: -145.107 bonds (distance) P-C4' energy: -148.751 flat angles C4'-P-C4' energy: -140.419 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: 39.863 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: 9 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2955.190749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.190749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.190749 (E_RNA) where: Base-Base interactions energy: -1989.262 where: short stacking energy: -848.151 Base-Backbone interact. energy: -0.539 local terms energy: -965.390126 where: bonds (distance) C4'-P energy: -188.735 bonds (distance) P-C4' energy: -190.719 flat angles C4'-P-C4' energy: -201.685 flat angles P-C4'-P energy: -136.188 tors. eta vs tors. theta energy: -248.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2683.822884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.822884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.822884 (E_RNA) where: Base-Base interactions energy: -1762.239 where: short stacking energy: -761.140 Base-Backbone interact. energy: -3.095 local terms energy: -918.489035 where: bonds (distance) C4'-P energy: -166.369 bonds (distance) P-C4' energy: -195.929 flat angles C4'-P-C4' energy: -199.774 flat angles P-C4'-P energy: -119.839 tors. eta vs tors. theta energy: -236.579 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: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2631.853282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.853282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.853282 (E_RNA) where: Base-Base interactions energy: -1754.302 where: short stacking energy: -749.419 Base-Backbone interact. energy: -1.600 local terms energy: -875.951084 where: bonds (distance) C4'-P energy: -155.834 bonds (distance) P-C4' energy: -164.416 flat angles C4'-P-C4' energy: -186.633 flat angles P-C4'-P energy: -136.576 tors. eta vs tors. theta energy: -232.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2488.247729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.247729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.247729 (E_RNA) where: Base-Base interactions energy: -1646.133 where: short stacking energy: -706.016 Base-Backbone interact. energy: -7.189 local terms energy: -834.925313 where: bonds (distance) C4'-P energy: -165.048 bonds (distance) P-C4' energy: -149.044 flat angles C4'-P-C4' energy: -184.235 flat angles P-C4'-P energy: -125.380 tors. eta vs tors. theta energy: -211.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2257.483221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.483221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.483221 (E_RNA) where: Base-Base interactions energy: -1484.568 where: short stacking energy: -658.405 Base-Backbone interact. energy: -1.347 local terms energy: -771.568240 where: bonds (distance) C4'-P energy: -161.553 bonds (distance) P-C4' energy: -156.334 flat angles C4'-P-C4' energy: -166.819 flat angles P-C4'-P energy: -113.277 tors. eta vs tors. theta energy: -173.585 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: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1740.461577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.461577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.461577 (E_RNA) where: Base-Base interactions energy: -1089.651 where: short stacking energy: -464.568 Base-Backbone interact. energy: 2.678 local terms energy: -653.489075 where: bonds (distance) C4'-P energy: -148.287 bonds (distance) P-C4' energy: -151.721 flat angles C4'-P-C4' energy: -155.633 flat angles P-C4'-P energy: -96.963 tors. eta vs tors. theta energy: -100.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1657.663847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.663847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.663847 (E_RNA) where: Base-Base interactions energy: -1013.578 where: short stacking energy: -468.618 Base-Backbone interact. energy: -1.721 local terms energy: -642.364692 where: bonds (distance) C4'-P energy: -142.669 bonds (distance) P-C4' energy: -147.290 flat angles C4'-P-C4' energy: -163.329 flat angles P-C4'-P energy: -86.674 tors. eta vs tors. theta energy: -102.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1291.368389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.368389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.368389 (E_RNA) where: Base-Base interactions energy: -725.947 where: short stacking energy: -376.942 Base-Backbone interact. energy: 1.503 local terms energy: -566.924656 where: bonds (distance) C4'-P energy: -128.334 bonds (distance) P-C4' energy: -159.318 flat angles C4'-P-C4' energy: -146.358 flat angles P-C4'-P energy: -84.720 tors. eta vs tors. theta energy: -48.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -877.732037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.732037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.732037 (E_RNA) where: Base-Base interactions energy: -358.024 where: short stacking energy: -220.088 Base-Backbone interact. energy: -0.024 local terms energy: -519.684484 where: bonds (distance) C4'-P energy: -161.098 bonds (distance) P-C4' energy: -167.344 flat angles C4'-P-C4' energy: -134.248 flat angles P-C4'-P energy: -70.047 tors. eta vs tors. theta energy: 13.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -748.032384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.032384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.032384 (E_RNA) where: Base-Base interactions energy: -283.090 where: short stacking energy: -172.954 Base-Backbone interact. energy: 4.108 local terms energy: -469.051225 where: bonds (distance) C4'-P energy: -165.969 bonds (distance) P-C4' energy: -174.251 flat angles C4'-P-C4' energy: -114.419 flat angles P-C4'-P energy: -77.539 tors. eta vs tors. theta energy: 63.127 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: 9 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2980.124776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.124776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.124776 (E_RNA) where: Base-Base interactions energy: -2042.324 where: short stacking energy: -870.018 Base-Backbone interact. energy: -1.274 local terms energy: -936.527265 where: bonds (distance) C4'-P energy: -157.441 bonds (distance) P-C4' energy: -180.639 flat angles C4'-P-C4' energy: -202.536 flat angles P-C4'-P energy: -132.049 tors. eta vs tors. theta energy: -263.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2781.263437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.263437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.263437 (E_RNA) where: Base-Base interactions energy: -1839.659 where: short stacking energy: -784.547 Base-Backbone interact. energy: -0.053 local terms energy: -941.551349 where: bonds (distance) C4'-P energy: -161.624 bonds (distance) P-C4' energy: -177.869 flat angles C4'-P-C4' energy: -221.441 flat angles P-C4'-P energy: -137.049 tors. eta vs tors. theta energy: -243.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2629.257538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.257538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.257538 (E_RNA) where: Base-Base interactions energy: -1786.047 where: short stacking energy: -761.120 Base-Backbone interact. energy: -4.240 local terms energy: -838.970098 where: bonds (distance) C4'-P energy: -147.300 bonds (distance) P-C4' energy: -168.470 flat angles C4'-P-C4' energy: -187.257 flat angles P-C4'-P energy: -123.741 tors. eta vs tors. theta energy: -212.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2472.370480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.370480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.370480 (E_RNA) where: Base-Base interactions energy: -1636.139 where: short stacking energy: -707.342 Base-Backbone interact. energy: -3.727 local terms energy: -832.504925 where: bonds (distance) C4'-P energy: -156.886 bonds (distance) P-C4' energy: -156.958 flat angles C4'-P-C4' energy: -201.496 flat angles P-C4'-P energy: -110.458 tors. eta vs tors. theta energy: -206.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2317.127837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.127837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.127837 (E_RNA) where: Base-Base interactions energy: -1490.378 where: short stacking energy: -676.019 Base-Backbone interact. energy: -3.977 local terms energy: -822.772053 where: bonds (distance) C4'-P energy: -162.914 bonds (distance) P-C4' energy: -168.365 flat angles C4'-P-C4' energy: -174.510 flat angles P-C4'-P energy: -137.975 tors. eta vs tors. theta energy: -179.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1746.530143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.530143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.530143 (E_RNA) where: Base-Base interactions energy: -1096.237 where: short stacking energy: -503.408 Base-Backbone interact. energy: 1.061 local terms energy: -651.354226 where: bonds (distance) C4'-P energy: -143.883 bonds (distance) P-C4' energy: -154.921 flat angles C4'-P-C4' energy: -163.675 flat angles P-C4'-P energy: -78.066 tors. eta vs tors. theta energy: -110.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1625.904075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.904075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.904075 (E_RNA) where: Base-Base interactions energy: -1034.878 where: short stacking energy: -457.538 Base-Backbone interact. energy: 3.591 local terms energy: -594.616845 where: bonds (distance) C4'-P energy: -149.263 bonds (distance) P-C4' energy: -148.938 flat angles C4'-P-C4' energy: -146.789 flat angles P-C4'-P energy: -74.315 tors. eta vs tors. theta energy: -75.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1357.342166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.342166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.342166 (E_RNA) where: Base-Base interactions energy: -748.400 where: short stacking energy: -374.433 Base-Backbone interact. energy: 2.253 local terms energy: -611.195009 where: bonds (distance) C4'-P energy: -171.596 bonds (distance) P-C4' energy: -153.990 flat angles C4'-P-C4' energy: -135.958 flat angles P-C4'-P energy: -100.945 tors. eta vs tors. theta energy: -48.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -789.219540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.219540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.219540 (E_RNA) where: Base-Base interactions energy: -330.199 where: short stacking energy: -227.150 Base-Backbone interact. energy: 0.817 local terms energy: -459.838340 where: bonds (distance) C4'-P energy: -147.346 bonds (distance) P-C4' energy: -128.228 flat angles C4'-P-C4' energy: -124.666 flat angles P-C4'-P energy: -70.385 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: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -844.871114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.871114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.871114 (E_RNA) where: Base-Base interactions energy: -365.411 where: short stacking energy: -216.323 Base-Backbone interact. energy: -1.427 local terms energy: -478.033668 where: bonds (distance) C4'-P energy: -133.286 bonds (distance) P-C4' energy: -171.901 flat angles C4'-P-C4' energy: -123.697 flat angles P-C4'-P energy: -69.315 tors. eta vs tors. theta energy: 20.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2989.855351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.855351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.855351 (E_RNA) where: Base-Base interactions energy: -1998.917 where: short stacking energy: -859.567 Base-Backbone interact. energy: -0.872 local terms energy: -990.065927 where: bonds (distance) C4'-P energy: -191.829 bonds (distance) P-C4' energy: -198.653 flat angles C4'-P-C4' energy: -201.541 flat angles P-C4'-P energy: -132.687 tors. eta vs tors. theta energy: -265.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2819.069811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.069811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.069811 (E_RNA) where: Base-Base interactions energy: -1919.451 where: short stacking energy: -797.733 Base-Backbone interact. energy: 0.678 local terms energy: -900.297196 where: bonds (distance) C4'-P energy: -171.877 bonds (distance) P-C4' energy: -169.574 flat angles C4'-P-C4' energy: -202.018 flat angles P-C4'-P energy: -126.067 tors. eta vs tors. theta energy: -230.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2615.429148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.429148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.429148 (E_RNA) where: Base-Base interactions energy: -1737.977 where: short stacking energy: -751.594 Base-Backbone interact. energy: 1.081 local terms energy: -878.533881 where: bonds (distance) C4'-P energy: -166.945 bonds (distance) P-C4' energy: -170.968 flat angles C4'-P-C4' energy: -198.046 flat angles P-C4'-P energy: -124.143 tors. eta vs tors. theta energy: -218.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2463.783856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.783856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.783856 (E_RNA) where: Base-Base interactions energy: -1646.157 where: short stacking energy: -737.276 Base-Backbone interact. energy: -4.623 local terms energy: -813.003346 where: bonds (distance) C4'-P energy: -138.650 bonds (distance) P-C4' energy: -168.720 flat angles C4'-P-C4' energy: -193.271 flat angles P-C4'-P energy: -118.296 tors. eta vs tors. theta energy: -194.065 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: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2278.363030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.363030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.363030 (E_RNA) where: Base-Base interactions energy: -1506.214 where: short stacking energy: -686.617 Base-Backbone interact. energy: 1.161 local terms energy: -773.309255 where: bonds (distance) C4'-P energy: -163.768 bonds (distance) P-C4' energy: -154.992 flat angles C4'-P-C4' energy: -183.507 flat angles P-C4'-P energy: -93.598 tors. eta vs tors. theta energy: -177.445 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: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1773.958935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.958935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.958935 (E_RNA) where: Base-Base interactions energy: -1071.103 where: short stacking energy: -475.139 Base-Backbone interact. energy: -5.078 local terms energy: -697.777660 where: bonds (distance) C4'-P energy: -161.794 bonds (distance) P-C4' energy: -165.524 flat angles C4'-P-C4' energy: -162.797 flat angles P-C4'-P energy: -106.996 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: 7, replica: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1620.116612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.116612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.116612 (E_RNA) where: Base-Base interactions energy: -952.795 where: short stacking energy: -419.629 Base-Backbone interact. energy: 3.058 local terms energy: -670.379558 where: bonds (distance) C4'-P energy: -152.408 bonds (distance) P-C4' energy: -179.678 flat angles C4'-P-C4' energy: -165.157 flat angles P-C4'-P energy: -93.884 tors. eta vs tors. theta energy: -79.253 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: 1 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1354.861843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.861843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.861843 (E_RNA) where: Base-Base interactions energy: -735.250 where: short stacking energy: -377.893 Base-Backbone interact. energy: -1.468 local terms energy: -618.144426 where: bonds (distance) C4'-P energy: -162.791 bonds (distance) P-C4' energy: -170.927 flat angles C4'-P-C4' energy: -123.789 flat angles P-C4'-P energy: -84.461 tors. eta vs tors. theta energy: -76.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -875.688307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.688307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.688307 (E_RNA) where: Base-Base interactions energy: -374.715 where: short stacking energy: -230.313 Base-Backbone interact. energy: 5.664 local terms energy: -506.638195 where: bonds (distance) C4'-P energy: -145.904 bonds (distance) P-C4' energy: -148.449 flat angles C4'-P-C4' energy: -138.668 flat angles P-C4'-P energy: -85.040 tors. eta vs tors. theta energy: 11.423 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: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -820.709703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.709703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.709703 (E_RNA) where: Base-Base interactions energy: -345.826 where: short stacking energy: -195.049 Base-Backbone interact. energy: 0.627 local terms energy: -475.510705 where: bonds (distance) C4'-P energy: -140.221 bonds (distance) P-C4' energy: -159.797 flat angles C4'-P-C4' energy: -132.040 flat angles P-C4'-P energy: -64.588 tors. eta vs tors. theta energy: 21.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3005.962837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.962837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.962837 (E_RNA) where: Base-Base interactions energy: -2048.841 where: short stacking energy: -881.842 Base-Backbone interact. energy: -7.051 local terms energy: -950.070859 where: bonds (distance) C4'-P energy: -169.347 bonds (distance) P-C4' energy: -175.188 flat angles C4'-P-C4' energy: -210.379 flat angles P-C4'-P energy: -147.236 tors. eta vs tors. theta energy: -247.921 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: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2829.755586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.755586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.755586 (E_RNA) where: Base-Base interactions energy: -1896.353 where: short stacking energy: -829.740 Base-Backbone interact. energy: -1.643 local terms energy: -931.760276 where: bonds (distance) C4'-P energy: -170.903 bonds (distance) P-C4' energy: -192.835 flat angles C4'-P-C4' energy: -214.286 flat angles P-C4'-P energy: -119.838 tors. eta vs tors. theta energy: -233.898 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: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2628.266621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.266621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.266621 (E_RNA) where: Base-Base interactions energy: -1760.984 where: short stacking energy: -735.570 Base-Backbone interact. energy: 6.089 local terms energy: -873.371624 where: bonds (distance) C4'-P energy: -158.962 bonds (distance) P-C4' energy: -186.140 flat angles C4'-P-C4' energy: -195.473 flat angles P-C4'-P energy: -114.431 tors. eta vs tors. theta energy: -218.365 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: 178 Temperature: 1.050000 Total energy: -2484.104382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.104382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.104382 (E_RNA) where: Base-Base interactions energy: -1639.716 where: short stacking energy: -683.164 Base-Backbone interact. energy: -2.126 local terms energy: -842.262701 where: bonds (distance) C4'-P energy: -157.793 bonds (distance) P-C4' energy: -171.600 flat angles C4'-P-C4' energy: -188.799 flat angles P-C4'-P energy: -120.783 tors. eta vs tors. theta energy: -203.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2299.000652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.000652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.000652 (E_RNA) where: Base-Base interactions energy: -1483.147 where: short stacking energy: -635.414 Base-Backbone interact. energy: -6.670 local terms energy: -809.182886 where: bonds (distance) C4'-P energy: -172.774 bonds (distance) P-C4' energy: -161.377 flat angles C4'-P-C4' energy: -190.053 flat angles P-C4'-P energy: -115.911 tors. eta vs tors. theta energy: -169.068 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: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1827.428937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.428937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.428937 (E_RNA) where: Base-Base interactions energy: -1139.517 where: short stacking energy: -484.717 Base-Backbone interact. energy: 3.184 local terms energy: -691.095605 where: bonds (distance) C4'-P energy: -156.048 bonds (distance) P-C4' energy: -152.614 flat angles C4'-P-C4' energy: -158.546 flat angles P-C4'-P energy: -108.368 tors. eta vs tors. theta energy: -115.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1624.494089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.494089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.494089 (E_RNA) where: Base-Base interactions energy: -985.148 where: short stacking energy: -460.539 Base-Backbone interact. energy: 0.264 local terms energy: -639.609875 where: bonds (distance) C4'-P energy: -127.711 bonds (distance) P-C4' energy: -158.162 flat angles C4'-P-C4' energy: -147.683 flat angles P-C4'-P energy: -109.268 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: 8, replica: 1 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1273.645123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.645123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.645123 (E_RNA) where: Base-Base interactions energy: -701.987 where: short stacking energy: -343.600 Base-Backbone interact. energy: -1.971 local terms energy: -569.687240 where: bonds (distance) C4'-P energy: -146.549 bonds (distance) P-C4' energy: -159.788 flat angles C4'-P-C4' energy: -137.526 flat angles P-C4'-P energy: -78.499 tors. eta vs tors. theta energy: -47.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -819.506531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.506531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.506531 (E_RNA) where: Base-Base interactions energy: -321.559 where: short stacking energy: -186.665 Base-Backbone interact. energy: -4.889 local terms energy: -493.058676 where: bonds (distance) C4'-P energy: -161.315 bonds (distance) P-C4' energy: -162.357 flat angles C4'-P-C4' energy: -141.093 flat angles P-C4'-P energy: -74.187 tors. eta vs tors. theta energy: 45.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -755.828990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.828990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.828990 (E_RNA) where: Base-Base interactions energy: -294.901 where: short stacking energy: -211.313 Base-Backbone interact. energy: 0.320 local terms energy: -461.248059 where: bonds (distance) C4'-P energy: -140.742 bonds (distance) P-C4' energy: -149.437 flat angles C4'-P-C4' energy: -129.133 flat angles P-C4'-P energy: -66.381 tors. eta vs tors. theta energy: 24.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2995.936311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.936311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.936311 (E_RNA) where: Base-Base interactions energy: -2030.516 where: short stacking energy: -852.873 Base-Backbone interact. energy: 2.983 local terms energy: -968.402450 where: bonds (distance) C4'-P energy: -170.758 bonds (distance) P-C4' energy: -185.559 flat angles C4'-P-C4' energy: -208.827 flat angles P-C4'-P energy: -146.517 tors. eta vs tors. theta energy: -256.740 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: 6 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2801.574074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.574074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.574074 (E_RNA) where: Base-Base interactions energy: -1881.959 where: short stacking energy: -815.119 Base-Backbone interact. energy: -3.102 local terms energy: -916.513345 where: bonds (distance) C4'-P energy: -160.482 bonds (distance) P-C4' energy: -170.629 flat angles C4'-P-C4' energy: -197.606 flat angles P-C4'-P energy: -135.726 tors. eta vs tors. theta energy: -252.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2602.497530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.497530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.497530 (E_RNA) where: Base-Base interactions energy: -1740.314 where: short stacking energy: -719.153 Base-Backbone interact. energy: -0.793 local terms energy: -861.390569 where: bonds (distance) C4'-P energy: -167.943 bonds (distance) P-C4' energy: -173.756 flat angles C4'-P-C4' energy: -195.364 flat angles P-C4'-P energy: -120.884 tors. eta vs tors. theta energy: -203.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2504.504621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.504621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.504621 (E_RNA) where: Base-Base interactions energy: -1657.444 where: short stacking energy: -698.341 Base-Backbone interact. energy: -5.001 local terms energy: -842.059128 where: bonds (distance) C4'-P energy: -176.483 bonds (distance) P-C4' energy: -163.167 flat angles C4'-P-C4' energy: -196.004 flat angles P-C4'-P energy: -119.701 tors. eta vs tors. theta energy: -186.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2218.359545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.359545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.359545 (E_RNA) where: Base-Base interactions energy: -1474.225 where: short stacking energy: -654.371 Base-Backbone interact. energy: 3.596 local terms energy: -747.730828 where: bonds (distance) C4'-P energy: -158.666 bonds (distance) P-C4' energy: -174.800 flat angles C4'-P-C4' energy: -161.786 flat angles P-C4'-P energy: -98.280 tors. eta vs tors. theta energy: -154.199 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: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1858.514470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.514470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.514470 (E_RNA) where: Base-Base interactions energy: -1124.047 where: short stacking energy: -516.762 Base-Backbone interact. energy: -0.334 local terms energy: -734.132761 where: bonds (distance) C4'-P energy: -172.124 bonds (distance) P-C4' energy: -167.505 flat angles C4'-P-C4' energy: -166.949 flat angles P-C4'-P energy: -116.763 tors. eta vs tors. theta energy: -110.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1637.095354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.095354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.095354 (E_RNA) where: Base-Base interactions energy: -976.299 where: short stacking energy: -430.637 Base-Backbone interact. energy: -5.469 local terms energy: -655.327935 where: bonds (distance) C4'-P energy: -168.470 bonds (distance) P-C4' energy: -172.429 flat angles C4'-P-C4' energy: -151.336 flat angles P-C4'-P energy: -82.156 tors. eta vs tors. theta energy: -80.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1241.027454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.027454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.027454 (E_RNA) where: Base-Base interactions energy: -671.699 where: short stacking energy: -298.926 Base-Backbone interact. energy: -4.045 local terms energy: -565.283567 where: bonds (distance) C4'-P energy: -161.610 bonds (distance) P-C4' energy: -148.799 flat angles C4'-P-C4' energy: -136.209 flat angles P-C4'-P energy: -100.419 tors. eta vs tors. theta energy: -18.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -931.089038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.089038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.089038 (E_RNA) where: Base-Base interactions energy: -451.918 where: short stacking energy: -269.899 Base-Backbone interact. energy: 2.974 local terms energy: -482.145080 where: bonds (distance) C4'-P energy: -137.487 bonds (distance) P-C4' energy: -148.929 flat angles C4'-P-C4' energy: -128.653 flat angles P-C4'-P energy: -60.416 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -769.206069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.206069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.206069 (E_RNA) where: Base-Base interactions energy: -306.774 where: short stacking energy: -181.468 Base-Backbone interact. energy: -2.647 local terms energy: -459.784429 where: bonds (distance) C4'-P energy: -140.829 bonds (distance) P-C4' energy: -144.888 flat angles C4'-P-C4' energy: -124.591 flat angles P-C4'-P energy: -76.799 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: 1, replica: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2945.936104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.936104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.936104 (E_RNA) where: Base-Base interactions energy: -1986.511 where: short stacking energy: -826.138 Base-Backbone interact. energy: -5.807 local terms energy: -953.618430 where: bonds (distance) C4'-P energy: -179.933 bonds (distance) P-C4' energy: -180.728 flat angles C4'-P-C4' energy: -214.395 flat angles P-C4'-P energy: -143.559 tors. eta vs tors. theta energy: -235.004 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: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2794.374165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.374165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.374165 (E_RNA) where: Base-Base interactions energy: -1903.202 where: short stacking energy: -817.124 Base-Backbone interact. energy: -5.681 local terms energy: -885.490389 where: bonds (distance) C4'-P energy: -182.078 bonds (distance) P-C4' energy: -163.837 flat angles C4'-P-C4' energy: -188.635 flat angles P-C4'-P energy: -118.281 tors. eta vs tors. theta energy: -232.660 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: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2609.505379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.505379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.505379 (E_RNA) where: Base-Base interactions energy: -1740.001 where: short stacking energy: -734.769 Base-Backbone interact. energy: -3.962 local terms energy: -865.542850 where: bonds (distance) C4'-P energy: -165.724 bonds (distance) P-C4' energy: -186.059 flat angles C4'-P-C4' energy: -178.353 flat angles P-C4'-P energy: -119.921 tors. eta vs tors. theta energy: -215.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2475.376033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.376033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.376033 (E_RNA) where: Base-Base interactions energy: -1660.397 where: short stacking energy: -688.058 Base-Backbone interact. energy: -4.136 local terms energy: -810.842653 where: bonds (distance) C4'-P energy: -165.001 bonds (distance) P-C4' energy: -162.920 flat angles C4'-P-C4' energy: -188.356 flat angles P-C4'-P energy: -105.727 tors. eta vs tors. theta energy: -188.839 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: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2266.767015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.767015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.767015 (E_RNA) where: Base-Base interactions energy: -1498.005 where: short stacking energy: -639.957 Base-Backbone interact. energy: -1.593 local terms energy: -767.168634 where: bonds (distance) C4'-P energy: -154.314 bonds (distance) P-C4' energy: -155.292 flat angles C4'-P-C4' energy: -183.245 flat angles P-C4'-P energy: -106.086 tors. eta vs tors. theta energy: -168.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1887.657970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.657970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.657970 (E_RNA) where: Base-Base interactions energy: -1167.763 where: short stacking energy: -545.675 Base-Backbone interact. energy: -0.128 local terms energy: -719.767288 where: bonds (distance) C4'-P energy: -181.061 bonds (distance) P-C4' energy: -146.730 flat angles C4'-P-C4' energy: -164.660 flat angles P-C4'-P energy: -113.568 tors. eta vs tors. theta energy: -113.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1652.650293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.650293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.650293 (E_RNA) where: Base-Base interactions energy: -992.582 where: short stacking energy: -447.354 Base-Backbone interact. energy: -1.946 local terms energy: -658.122774 where: bonds (distance) C4'-P energy: -157.228 bonds (distance) P-C4' energy: -185.978 flat angles C4'-P-C4' energy: -151.241 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -83.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1256.066843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.066843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.066843 (E_RNA) where: Base-Base interactions energy: -689.127 where: short stacking energy: -338.775 Base-Backbone interact. energy: -0.978 local terms energy: -565.961490 where: bonds (distance) C4'-P energy: -137.248 bonds (distance) P-C4' energy: -165.864 flat angles C4'-P-C4' energy: -143.621 flat angles P-C4'-P energy: -75.450 tors. eta vs tors. theta energy: -43.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -794.008593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.008593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.008593 (E_RNA) where: Base-Base interactions energy: -271.420 where: short stacking energy: -200.510 Base-Backbone interact. energy: 0.146 local terms energy: -522.734576 where: bonds (distance) C4'-P energy: -150.828 bonds (distance) P-C4' energy: -161.680 flat angles C4'-P-C4' energy: -154.414 flat angles P-C4'-P energy: -96.985 tors. eta vs tors. theta energy: 41.172 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: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -779.304407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.304407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.304407 (E_RNA) where: Base-Base interactions energy: -334.984 where: short stacking energy: -203.882 Base-Backbone interact. energy: 3.543 local terms energy: -447.862831 where: bonds (distance) C4'-P energy: -143.812 bonds (distance) P-C4' energy: -145.161 flat angles C4'-P-C4' energy: -110.011 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: 24.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2945.236168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.236168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.236168 (E_RNA) where: Base-Base interactions energy: -1995.962 where: short stacking energy: -877.698 Base-Backbone interact. energy: -1.115 local terms energy: -948.159561 where: bonds (distance) C4'-P energy: -167.142 bonds (distance) P-C4' energy: -186.436 flat angles C4'-P-C4' energy: -211.458 flat angles P-C4'-P energy: -125.384 tors. eta vs tors. theta energy: -257.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2768.206249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.206249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.206249 (E_RNA) where: Base-Base interactions energy: -1866.076 where: short stacking energy: -791.738 Base-Backbone interact. energy: -2.494 local terms energy: -899.635988 where: bonds (distance) C4'-P energy: -158.966 bonds (distance) P-C4' energy: -174.197 flat angles C4'-P-C4' energy: -197.654 flat angles P-C4'-P energy: -124.601 tors. eta vs tors. theta energy: -244.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2655.881261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.881261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.881261 (E_RNA) where: Base-Base interactions energy: -1793.267 where: short stacking energy: -737.171 Base-Backbone interact. energy: -3.865 local terms energy: -858.749188 where: bonds (distance) C4'-P energy: -168.654 bonds (distance) P-C4' energy: -171.254 flat angles C4'-P-C4' energy: -193.485 flat angles P-C4'-P energy: -127.501 tors. eta vs tors. theta energy: -197.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2506.314755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.314755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.314755 (E_RNA) where: Base-Base interactions energy: -1667.486 where: short stacking energy: -689.345 Base-Backbone interact. energy: -0.911 local terms energy: -837.917595 where: bonds (distance) C4'-P energy: -159.189 bonds (distance) P-C4' energy: -168.730 flat angles C4'-P-C4' energy: -174.916 flat angles P-C4'-P energy: -129.593 tors. eta vs tors. theta energy: -205.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2259.151024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.151024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.151024 (E_RNA) where: Base-Base interactions energy: -1473.572 where: short stacking energy: -676.006 Base-Backbone interact. energy: 1.604 local terms energy: -787.183106 where: bonds (distance) C4'-P energy: -143.136 bonds (distance) P-C4' energy: -161.111 flat angles C4'-P-C4' energy: -173.884 flat angles P-C4'-P energy: -123.532 tors. eta vs tors. theta energy: -185.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1883.908362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.908362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.908362 (E_RNA) where: Base-Base interactions energy: -1157.055 where: short stacking energy: -561.127 Base-Backbone interact. energy: -1.183 local terms energy: -725.670670 where: bonds (distance) C4'-P energy: -163.423 bonds (distance) P-C4' energy: -158.015 flat angles C4'-P-C4' energy: -171.838 flat angles P-C4'-P energy: -104.774 tors. eta vs tors. theta energy: -127.620 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: 7, replica: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1703.316872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.316872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.316872 (E_RNA) where: Base-Base interactions energy: -1052.160 where: short stacking energy: -476.623 Base-Backbone interact. energy: 2.338 local terms energy: -653.494908 where: bonds (distance) C4'-P energy: -152.362 bonds (distance) P-C4' energy: -156.662 flat angles C4'-P-C4' energy: -159.224 flat angles P-C4'-P energy: -74.747 tors. eta vs tors. theta energy: -110.499 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: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1277.814023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.814023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.814023 (E_RNA) where: Base-Base interactions energy: -704.416 where: short stacking energy: -377.944 Base-Backbone interact. energy: -4.091 local terms energy: -569.307817 where: bonds (distance) C4'-P energy: -147.059 bonds (distance) P-C4' energy: -153.421 flat angles C4'-P-C4' energy: -146.790 flat angles P-C4'-P energy: -78.598 tors. eta vs tors. theta energy: -43.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -793.387509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.387509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.387509 (E_RNA) where: Base-Base interactions energy: -315.089 where: short stacking energy: -214.882 Base-Backbone interact. energy: 6.595 local terms energy: -484.893260 where: bonds (distance) C4'-P energy: -157.414 bonds (distance) P-C4' energy: -141.809 flat angles C4'-P-C4' energy: -144.709 flat angles P-C4'-P energy: -64.494 tors. eta vs tors. theta energy: 23.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -733.154444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.154444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.154444 (E_RNA) where: Base-Base interactions energy: -297.531 where: short stacking energy: -212.475 Base-Backbone interact. energy: -1.078 local terms energy: -434.545190 where: bonds (distance) C4'-P energy: -134.373 bonds (distance) P-C4' energy: -144.242 flat angles C4'-P-C4' energy: -124.854 flat angles P-C4'-P energy: -61.712 tors. eta vs tors. theta energy: 30.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2992.449184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.449184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.449184 (E_RNA) where: Base-Base interactions energy: -2037.842 where: short stacking energy: -871.362 Base-Backbone interact. energy: -3.890 local terms energy: -950.717230 where: bonds (distance) C4'-P energy: -169.704 bonds (distance) P-C4' energy: -169.975 flat angles C4'-P-C4' energy: -223.874 flat angles P-C4'-P energy: -138.398 tors. eta vs tors. theta energy: -248.765 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: 6 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2761.123732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.123732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.123732 (E_RNA) where: Base-Base interactions energy: -1838.697 where: short stacking energy: -803.819 Base-Backbone interact. energy: -3.795 local terms energy: -918.632188 where: bonds (distance) C4'-P energy: -171.367 bonds (distance) P-C4' energy: -174.672 flat angles C4'-P-C4' energy: -200.580 flat angles P-C4'-P energy: -133.801 tors. eta vs tors. theta energy: -238.212 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: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2594.506580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.506580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.506580 (E_RNA) where: Base-Base interactions energy: -1726.357 where: short stacking energy: -737.873 Base-Backbone interact. energy: -0.861 local terms energy: -867.287948 where: bonds (distance) C4'-P energy: -164.988 bonds (distance) P-C4' energy: -166.039 flat angles C4'-P-C4' energy: -188.657 flat angles P-C4'-P energy: -133.238 tors. eta vs tors. theta energy: -214.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2577.256569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.256569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.256569 (E_RNA) where: Base-Base interactions energy: -1724.634 where: short stacking energy: -728.371 Base-Backbone interact. energy: -2.632 local terms energy: -849.989872 where: bonds (distance) C4'-P energy: -171.479 bonds (distance) P-C4' energy: -163.640 flat angles C4'-P-C4' energy: -191.839 flat angles P-C4'-P energy: -111.516 tors. eta vs tors. theta energy: -211.516 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: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2312.981959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.981959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.981959 (E_RNA) where: Base-Base interactions energy: -1517.787 where: short stacking energy: -647.984 Base-Backbone interact. energy: -4.248 local terms energy: -790.946913 where: bonds (distance) C4'-P energy: -166.020 bonds (distance) P-C4' energy: -160.431 flat angles C4'-P-C4' energy: -149.033 flat angles P-C4'-P energy: -128.486 tors. eta vs tors. theta energy: -186.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1942.546802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.546802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.546802 (E_RNA) where: Base-Base interactions energy: -1194.499 where: short stacking energy: -542.042 Base-Backbone interact. energy: 0.159 local terms energy: -748.206502 where: bonds (distance) C4'-P energy: -167.775 bonds (distance) P-C4' energy: -165.061 flat angles C4'-P-C4' energy: -184.935 flat angles P-C4'-P energy: -105.130 tors. eta vs tors. theta energy: -125.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1682.195961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.195961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.195961 (E_RNA) where: Base-Base interactions energy: -1045.285 where: short stacking energy: -479.647 Base-Backbone interact. energy: 1.349 local terms energy: -638.260364 where: bonds (distance) C4'-P energy: -145.117 bonds (distance) P-C4' energy: -148.519 flat angles C4'-P-C4' energy: -144.002 flat angles P-C4'-P energy: -93.632 tors. eta vs tors. theta energy: -106.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1231.127383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.127383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.127383 (E_RNA) where: Base-Base interactions energy: -669.669 where: short stacking energy: -347.287 Base-Backbone interact. energy: 0.522 local terms energy: -561.980630 where: bonds (distance) C4'-P energy: -158.924 bonds (distance) P-C4' energy: -160.609 flat angles C4'-P-C4' energy: -145.359 flat angles P-C4'-P energy: -68.816 tors. eta vs tors. theta energy: -28.272 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: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -792.577043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.577043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.577043 (E_RNA) where: Base-Base interactions energy: -310.600 where: short stacking energy: -244.510 Base-Backbone interact. energy: 5.736 local terms energy: -487.712627 where: bonds (distance) C4'-P energy: -137.165 bonds (distance) P-C4' energy: -133.672 flat angles C4'-P-C4' energy: -148.435 flat angles P-C4'-P energy: -70.522 tors. eta vs tors. theta energy: 2.082 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: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -734.302791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.302791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.302791 (E_RNA) where: Base-Base interactions energy: -279.020 where: short stacking energy: -201.958 Base-Backbone interact. energy: 8.957 local terms energy: -464.239980 where: bonds (distance) C4'-P energy: -116.810 bonds (distance) P-C4' energy: -174.356 flat angles C4'-P-C4' energy: -125.955 flat angles P-C4'-P energy: -79.172 tors. eta vs tors. theta energy: 32.054 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: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2962.013391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.013391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.013391 (E_RNA) where: Base-Base interactions energy: -2010.817 where: short stacking energy: -853.949 Base-Backbone interact. energy: -0.884 local terms energy: -950.312241 where: bonds (distance) C4'-P energy: -170.227 bonds (distance) P-C4' energy: -183.771 flat angles C4'-P-C4' energy: -204.508 flat angles P-C4'-P energy: -140.331 tors. eta vs tors. theta energy: -251.475 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: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2785.663899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.663899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.663899 (E_RNA) where: Base-Base interactions energy: -1875.004 where: short stacking energy: -790.995 Base-Backbone interact. energy: 0.718 local terms energy: -911.377528 where: bonds (distance) C4'-P energy: -172.402 bonds (distance) P-C4' energy: -180.723 flat angles C4'-P-C4' energy: -195.220 flat angles P-C4'-P energy: -130.021 tors. eta vs tors. theta energy: -233.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2598.981723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.981723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.981723 (E_RNA) where: Base-Base interactions energy: -1751.775 where: short stacking energy: -736.999 Base-Backbone interact. energy: -0.026 local terms energy: -847.180590 where: bonds (distance) C4'-P energy: -182.638 bonds (distance) P-C4' energy: -162.796 flat angles C4'-P-C4' energy: -185.217 flat angles P-C4'-P energy: -111.895 tors. eta vs tors. theta energy: -204.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2450.255056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.255056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.255056 (E_RNA) where: Base-Base interactions energy: -1635.948 where: short stacking energy: -695.771 Base-Backbone interact. energy: -1.223 local terms energy: -813.084622 where: bonds (distance) C4'-P energy: -158.603 bonds (distance) P-C4' energy: -166.768 flat angles C4'-P-C4' energy: -188.432 flat angles P-C4'-P energy: -106.026 tors. eta vs tors. theta energy: -193.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2325.991622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.991622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.991622 (E_RNA) where: Base-Base interactions energy: -1490.941 where: short stacking energy: -668.065 Base-Backbone interact. energy: -1.415 local terms energy: -833.635453 where: bonds (distance) C4'-P energy: -168.362 bonds (distance) P-C4' energy: -183.508 flat angles C4'-P-C4' energy: -186.551 flat angles P-C4'-P energy: -110.148 tors. eta vs tors. theta energy: -185.066 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: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1857.707129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.707129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.707129 (E_RNA) where: Base-Base interactions energy: -1153.866 where: short stacking energy: -532.529 Base-Backbone interact. energy: 1.730 local terms energy: -705.571217 where: bonds (distance) C4'-P energy: -159.335 bonds (distance) P-C4' energy: -172.912 flat angles C4'-P-C4' energy: -166.536 flat angles P-C4'-P energy: -94.656 tors. eta vs tors. theta energy: -112.132 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: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1652.610027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.610027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.610027 (E_RNA) where: Base-Base interactions energy: -991.316 where: short stacking energy: -465.856 Base-Backbone interact. energy: 2.170 local terms energy: -663.464200 where: bonds (distance) C4'-P energy: -155.558 bonds (distance) P-C4' energy: -147.953 flat angles C4'-P-C4' energy: -156.668 flat angles P-C4'-P energy: -107.971 tors. eta vs tors. theta energy: -95.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1288.716627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.716627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.716627 (E_RNA) where: Base-Base interactions energy: -729.891 where: short stacking energy: -360.508 Base-Backbone interact. energy: -2.544 local terms energy: -556.281665 where: bonds (distance) C4'-P energy: -156.091 bonds (distance) P-C4' energy: -151.999 flat angles C4'-P-C4' energy: -137.638 flat angles P-C4'-P energy: -91.209 tors. eta vs tors. theta energy: -19.345 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: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -828.389901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.389901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.389901 (E_RNA) where: Base-Base interactions energy: -331.913 where: short stacking energy: -220.826 Base-Backbone interact. energy: 6.684 local terms energy: -503.160841 where: bonds (distance) C4'-P energy: -152.365 bonds (distance) P-C4' energy: -167.117 flat angles C4'-P-C4' energy: -141.268 flat angles P-C4'-P energy: -67.068 tors. eta vs tors. theta energy: 24.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -731.168763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.168763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.168763 (E_RNA) where: Base-Base interactions energy: -277.449 where: short stacking energy: -188.473 Base-Backbone interact. energy: -1.694 local terms energy: -452.026415 where: bonds (distance) C4'-P energy: -127.680 bonds (distance) P-C4' energy: -153.751 flat angles C4'-P-C4' energy: -136.214 flat angles P-C4'-P energy: -68.489 tors. eta vs tors. theta energy: 34.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -3015.412958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.412958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.412958 (E_RNA) where: Base-Base interactions energy: -2048.366 where: short stacking energy: -853.032 Base-Backbone interact. energy: -4.494 local terms energy: -962.553287 where: bonds (distance) C4'-P energy: -185.353 bonds (distance) P-C4' energy: -170.970 flat angles C4'-P-C4' energy: -210.750 flat angles P-C4'-P energy: -132.227 tors. eta vs tors. theta energy: -263.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2778.271137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.271137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.271137 (E_RNA) where: Base-Base interactions energy: -1846.351 where: short stacking energy: -814.166 Base-Backbone interact. energy: -2.458 local terms energy: -929.462098 where: bonds (distance) C4'-P energy: -182.986 bonds (distance) P-C4' energy: -175.433 flat angles C4'-P-C4' energy: -194.992 flat angles P-C4'-P energy: -138.001 tors. eta vs tors. theta energy: -238.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2571.816061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.816061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.816061 (E_RNA) where: Base-Base interactions energy: -1695.191 where: short stacking energy: -734.622 Base-Backbone interact. energy: -5.726 local terms energy: -870.899359 where: bonds (distance) C4'-P energy: -161.654 bonds (distance) P-C4' energy: -180.722 flat angles C4'-P-C4' energy: -187.436 flat angles P-C4'-P energy: -126.561 tors. eta vs tors. theta energy: -214.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2432.047873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.047873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.047873 (E_RNA) where: Base-Base interactions energy: -1578.153 where: short stacking energy: -712.191 Base-Backbone interact. energy: -0.139 local terms energy: -853.756352 where: bonds (distance) C4'-P energy: -188.130 bonds (distance) P-C4' energy: -163.712 flat angles C4'-P-C4' energy: -174.479 flat angles P-C4'-P energy: -119.868 tors. eta vs tors. theta energy: -207.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2263.515410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.515410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.515410 (E_RNA) where: Base-Base interactions energy: -1480.948 where: short stacking energy: -695.256 Base-Backbone interact. energy: -0.577 local terms energy: -781.990983 where: bonds (distance) C4'-P energy: -149.501 bonds (distance) P-C4' energy: -180.279 flat angles C4'-P-C4' energy: -169.310 flat angles P-C4'-P energy: -107.432 tors. eta vs tors. theta energy: -175.469 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: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1876.046565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.046565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.046565 (E_RNA) where: Base-Base interactions energy: -1170.468 where: short stacking energy: -521.230 Base-Backbone interact. energy: -2.607 local terms energy: -702.972135 where: bonds (distance) C4'-P energy: -140.132 bonds (distance) P-C4' energy: -175.093 flat angles C4'-P-C4' energy: -159.487 flat angles P-C4'-P energy: -103.395 tors. eta vs tors. theta energy: -124.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1588.981522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.981522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.981522 (E_RNA) where: Base-Base interactions energy: -972.169 where: short stacking energy: -453.237 Base-Backbone interact. energy: 0.476 local terms energy: -617.288101 where: bonds (distance) C4'-P energy: -123.285 bonds (distance) P-C4' energy: -168.213 flat angles C4'-P-C4' energy: -145.844 flat angles P-C4'-P energy: -101.208 tors. eta vs tors. theta energy: -78.739 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: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1302.094239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.094239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.094239 (E_RNA) where: Base-Base interactions energy: -728.317 where: short stacking energy: -366.909 Base-Backbone interact. energy: -3.686 local terms energy: -570.090567 where: bonds (distance) C4'-P energy: -165.954 bonds (distance) P-C4' energy: -156.111 flat angles C4'-P-C4' energy: -147.348 flat angles P-C4'-P energy: -57.388 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: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -791.207563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.207563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.207563 (E_RNA) where: Base-Base interactions energy: -333.728 where: short stacking energy: -219.246 Base-Backbone interact. energy: 2.800 local terms energy: -460.280218 where: bonds (distance) C4'-P energy: -146.757 bonds (distance) P-C4' energy: -161.660 flat angles C4'-P-C4' energy: -124.037 flat angles P-C4'-P energy: -65.043 tors. eta vs tors. theta energy: 37.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -698.199370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.199370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.199370 (E_RNA) where: Base-Base interactions energy: -280.384 where: short stacking energy: -203.626 Base-Backbone interact. energy: 4.213 local terms energy: -422.028941 where: bonds (distance) C4'-P energy: -149.036 bonds (distance) P-C4' energy: -156.944 flat angles C4'-P-C4' energy: -84.382 flat angles P-C4'-P energy: -55.902 tors. eta vs tors. theta energy: 24.234 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: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2966.954666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.954666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.954666 (E_RNA) where: Base-Base interactions energy: -1982.667 where: short stacking energy: -852.136 Base-Backbone interact. energy: 0.326 local terms energy: -984.613064 where: bonds (distance) C4'-P energy: -184.423 bonds (distance) P-C4' energy: -187.803 flat angles C4'-P-C4' energy: -213.851 flat angles P-C4'-P energy: -137.639 tors. eta vs tors. theta energy: -260.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2775.838494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.838494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.838494 (E_RNA) where: Base-Base interactions energy: -1872.409 where: short stacking energy: -810.068 Base-Backbone interact. energy: -3.682 local terms energy: -899.747851 where: bonds (distance) C4'-P energy: -178.447 bonds (distance) P-C4' energy: -175.777 flat angles C4'-P-C4' energy: -198.350 flat angles P-C4'-P energy: -129.380 tors. eta vs tors. theta energy: -217.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2604.523463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.523463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.523463 (E_RNA) where: Base-Base interactions energy: -1755.209 where: short stacking energy: -744.779 Base-Backbone interact. energy: -0.700 local terms energy: -848.614344 where: bonds (distance) C4'-P energy: -162.456 bonds (distance) P-C4' energy: -174.512 flat angles C4'-P-C4' energy: -187.338 flat angles P-C4'-P energy: -125.751 tors. eta vs tors. theta energy: -198.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2399.916705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.916705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.916705 (E_RNA) where: Base-Base interactions energy: -1533.985 where: short stacking energy: -692.036 Base-Backbone interact. energy: -3.840 local terms energy: -862.091383 where: bonds (distance) C4'-P energy: -178.908 bonds (distance) P-C4' energy: -160.106 flat angles C4'-P-C4' energy: -184.425 flat angles P-C4'-P energy: -131.697 tors. eta vs tors. theta energy: -206.955 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: 5, replica: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2251.287721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.287721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.287721 (E_RNA) where: Base-Base interactions energy: -1429.982 where: short stacking energy: -639.856 Base-Backbone interact. energy: -2.102 local terms energy: -819.203081 where: bonds (distance) C4'-P energy: -171.236 bonds (distance) P-C4' energy: -158.184 flat angles C4'-P-C4' energy: -191.884 flat angles P-C4'-P energy: -119.134 tors. eta vs tors. theta energy: -178.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1932.043284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.043284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.043284 (E_RNA) where: Base-Base interactions energy: -1259.582 where: short stacking energy: -552.720 Base-Backbone interact. energy: 0.941 local terms energy: -673.402031 where: bonds (distance) C4'-P energy: -154.363 bonds (distance) P-C4' energy: -154.640 flat angles C4'-P-C4' energy: -151.455 flat angles P-C4'-P energy: -95.061 tors. eta vs tors. theta energy: -117.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1571.366200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.366200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.366200 (E_RNA) where: Base-Base interactions energy: -949.496 where: short stacking energy: -427.988 Base-Backbone interact. energy: -1.676 local terms energy: -620.194461 where: bonds (distance) C4'-P energy: -167.717 bonds (distance) P-C4' energy: -151.561 flat angles C4'-P-C4' energy: -161.596 flat angles P-C4'-P energy: -74.475 tors. eta vs tors. theta energy: -64.846 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: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1355.703811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.703811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.703811 (E_RNA) where: Base-Base interactions energy: -755.277 where: short stacking energy: -381.751 Base-Backbone interact. energy: -2.259 local terms energy: -598.167880 where: bonds (distance) C4'-P energy: -160.551 bonds (distance) P-C4' energy: -156.093 flat angles C4'-P-C4' energy: -143.495 flat angles P-C4'-P energy: -69.727 tors. eta vs tors. theta energy: -68.302 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: 9, replica: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -773.328206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.328206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.328206 (E_RNA) where: Base-Base interactions energy: -315.035 where: short stacking energy: -204.002 Base-Backbone interact. energy: 1.088 local terms energy: -459.381355 where: bonds (distance) C4'-P energy: -141.522 bonds (distance) P-C4' energy: -152.480 flat angles C4'-P-C4' energy: -108.212 flat angles P-C4'-P energy: -79.961 tors. eta vs tors. theta energy: 22.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -770.594086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.594086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.594086 (E_RNA) where: Base-Base interactions energy: -326.346 where: short stacking energy: -216.958 Base-Backbone interact. energy: 2.707 local terms energy: -446.954426 where: bonds (distance) C4'-P energy: -145.360 bonds (distance) P-C4' energy: -166.299 flat angles C4'-P-C4' energy: -117.344 flat angles P-C4'-P energy: -54.966 tors. eta vs tors. theta energy: 37.015 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: 9 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2963.959024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.959024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.959024 (E_RNA) where: Base-Base interactions energy: -2007.553 where: short stacking energy: -865.516 Base-Backbone interact. energy: -0.532 local terms energy: -955.873747 where: bonds (distance) C4'-P energy: -173.171 bonds (distance) P-C4' energy: -178.885 flat angles C4'-P-C4' energy: -214.051 flat angles P-C4'-P energy: -134.911 tors. eta vs tors. theta energy: -254.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2798.302944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.302944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.302944 (E_RNA) where: Base-Base interactions energy: -1869.837 where: short stacking energy: -815.532 Base-Backbone interact. energy: -0.739 local terms energy: -927.726597 where: bonds (distance) C4'-P energy: -177.165 bonds (distance) P-C4' energy: -180.330 flat angles C4'-P-C4' energy: -214.393 flat angles P-C4'-P energy: -116.596 tors. eta vs tors. theta energy: -239.243 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: 186 Temperature: 1.000000 Total energy: -2654.487831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.487831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.487831 (E_RNA) where: Base-Base interactions energy: -1753.611 where: short stacking energy: -734.871 Base-Backbone interact. energy: -1.384 local terms energy: -899.492929 where: bonds (distance) C4'-P energy: -170.960 bonds (distance) P-C4' energy: -172.391 flat angles C4'-P-C4' energy: -197.309 flat angles P-C4'-P energy: -130.856 tors. eta vs tors. theta energy: -227.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2364.414398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.414398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.414398 (E_RNA) where: Base-Base interactions energy: -1505.403 where: short stacking energy: -657.056 Base-Backbone interact. energy: -3.260 local terms energy: -855.751060 where: bonds (distance) C4'-P energy: -182.037 bonds (distance) P-C4' energy: -173.338 flat angles C4'-P-C4' energy: -188.591 flat angles P-C4'-P energy: -123.106 tors. eta vs tors. theta energy: -188.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2322.786679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.786679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.786679 (E_RNA) where: Base-Base interactions energy: -1503.490 where: short stacking energy: -653.670 Base-Backbone interact. energy: -3.956 local terms energy: -815.341107 where: bonds (distance) C4'-P energy: -173.686 bonds (distance) P-C4' energy: -159.915 flat angles C4'-P-C4' energy: -195.109 flat angles P-C4'-P energy: -112.975 tors. eta vs tors. theta energy: -173.656 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: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1956.212446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.212446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.212446 (E_RNA) where: Base-Base interactions energy: -1253.562 where: short stacking energy: -575.130 Base-Backbone interact. energy: -3.064 local terms energy: -699.585864 where: bonds (distance) C4'-P energy: -145.325 bonds (distance) P-C4' energy: -165.695 flat angles C4'-P-C4' energy: -137.363 flat angles P-C4'-P energy: -104.287 tors. eta vs tors. theta energy: -146.916 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: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1571.139864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.139864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.139864 (E_RNA) where: Base-Base interactions energy: -909.330 where: short stacking energy: -441.987 Base-Backbone interact. energy: -4.514 local terms energy: -657.296317 where: bonds (distance) C4'-P energy: -171.273 bonds (distance) P-C4' energy: -148.087 flat angles C4'-P-C4' energy: -155.662 flat angles P-C4'-P energy: -102.266 tors. eta vs tors. theta energy: -80.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1233.691722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.691722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.691722 (E_RNA) where: Base-Base interactions energy: -676.769 where: short stacking energy: -292.409 Base-Backbone interact. energy: 0.128 local terms energy: -557.050610 where: bonds (distance) C4'-P energy: -134.914 bonds (distance) P-C4' energy: -162.029 flat angles C4'-P-C4' energy: -138.419 flat angles P-C4'-P energy: -95.293 tors. eta vs tors. theta energy: -26.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -794.295317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.295317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.295317 (E_RNA) where: Base-Base interactions energy: -284.624 where: short stacking energy: -187.230 Base-Backbone interact. energy: -1.714 local terms energy: -507.957219 where: bonds (distance) C4'-P energy: -141.287 bonds (distance) P-C4' energy: -172.440 flat angles C4'-P-C4' energy: -125.316 flat angles P-C4'-P energy: -89.832 tors. eta vs tors. theta energy: 20.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -757.146573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.146573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.146573 (E_RNA) where: Base-Base interactions energy: -293.016 where: short stacking energy: -186.390 Base-Backbone interact. energy: 5.988 local terms energy: -470.118633 where: bonds (distance) C4'-P energy: -132.301 bonds (distance) P-C4' energy: -153.395 flat angles C4'-P-C4' energy: -135.320 flat angles P-C4'-P energy: -66.993 tors. eta vs tors. theta energy: 17.890 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: 9 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2925.313405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.313405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.313405 (E_RNA) where: Base-Base interactions energy: -1968.395 where: short stacking energy: -819.987 Base-Backbone interact. energy: -4.034 local terms energy: -952.884961 where: bonds (distance) C4'-P energy: -180.827 bonds (distance) P-C4' energy: -191.860 flat angles C4'-P-C4' energy: -200.918 flat angles P-C4'-P energy: -141.904 tors. eta vs tors. theta energy: -237.377 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: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2821.920286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.920286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.920286 (E_RNA) where: Base-Base interactions energy: -1881.431 where: short stacking energy: -777.498 Base-Backbone interact. energy: -5.716 local terms energy: -934.773734 where: bonds (distance) C4'-P energy: -181.758 bonds (distance) P-C4' energy: -181.209 flat angles C4'-P-C4' energy: -199.896 flat angles P-C4'-P energy: -123.354 tors. eta vs tors. theta energy: -248.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2579.472793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.472793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.472793 (E_RNA) where: Base-Base interactions energy: -1725.320 where: short stacking energy: -748.223 Base-Backbone interact. energy: 0.430 local terms energy: -854.583362 where: bonds (distance) C4'-P energy: -160.365 bonds (distance) P-C4' energy: -169.656 flat angles C4'-P-C4' energy: -211.234 flat angles P-C4'-P energy: -107.286 tors. eta vs tors. theta energy: -206.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2390.350812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.350812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.350812 (E_RNA) where: Base-Base interactions energy: -1556.483 where: short stacking energy: -691.467 Base-Backbone interact. energy: 1.031 local terms energy: -834.898441 where: bonds (distance) C4'-P energy: -161.242 bonds (distance) P-C4' energy: -164.028 flat angles C4'-P-C4' energy: -196.162 flat angles P-C4'-P energy: -110.787 tors. eta vs tors. theta energy: -202.679 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: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2334.696709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.696709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.696709 (E_RNA) where: Base-Base interactions energy: -1540.258 where: short stacking energy: -678.512 Base-Backbone interact. energy: -3.960 local terms energy: -790.479553 where: bonds (distance) C4'-P energy: -153.331 bonds (distance) P-C4' energy: -153.786 flat angles C4'-P-C4' energy: -172.484 flat angles P-C4'-P energy: -133.081 tors. eta vs tors. theta energy: -177.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1915.678329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.678329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.678329 (E_RNA) where: Base-Base interactions energy: -1181.083 where: short stacking energy: -537.975 Base-Backbone interact. energy: -5.708 local terms energy: -728.888142 where: bonds (distance) C4'-P energy: -146.022 bonds (distance) P-C4' energy: -173.661 flat angles C4'-P-C4' energy: -161.429 flat angles P-C4'-P energy: -109.262 tors. eta vs tors. theta energy: -138.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1660.748620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.748620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.748620 (E_RNA) where: Base-Base interactions energy: -1033.105 where: short stacking energy: -487.393 Base-Backbone interact. energy: 4.195 local terms energy: -631.838304 where: bonds (distance) C4'-P energy: -117.843 bonds (distance) P-C4' energy: -150.784 flat angles C4'-P-C4' energy: -160.788 flat angles P-C4'-P energy: -89.215 tors. eta vs tors. theta energy: -113.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1204.530079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.530079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.530079 (E_RNA) where: Base-Base interactions energy: -658.839 where: short stacking energy: -328.145 Base-Backbone interact. energy: -0.055 local terms energy: -545.635781 where: bonds (distance) C4'-P energy: -146.751 bonds (distance) P-C4' energy: -166.165 flat angles C4'-P-C4' energy: -116.851 flat angles P-C4'-P energy: -84.028 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: 9, replica: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -828.470845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.470845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.470845 (E_RNA) where: Base-Base interactions energy: -339.110 where: short stacking energy: -216.378 Base-Backbone interact. energy: 10.252 local terms energy: -499.613236 where: bonds (distance) C4'-P energy: -149.760 bonds (distance) P-C4' energy: -157.981 flat angles C4'-P-C4' energy: -146.551 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: 31.843 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: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -816.279041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.279041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.279041 (E_RNA) where: Base-Base interactions energy: -360.997 where: short stacking energy: -203.982 Base-Backbone interact. energy: 4.031 local terms energy: -459.312271 where: bonds (distance) C4'-P energy: -149.430 bonds (distance) P-C4' energy: -138.892 flat angles C4'-P-C4' energy: -135.453 flat angles P-C4'-P energy: -77.709 tors. eta vs tors. theta energy: 42.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2939.733384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.733384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.733384 (E_RNA) where: Base-Base interactions energy: -1974.823 where: short stacking energy: -830.645 Base-Backbone interact. energy: -5.738 local terms energy: -959.172061 where: bonds (distance) C4'-P energy: -182.173 bonds (distance) P-C4' energy: -181.073 flat angles C4'-P-C4' energy: -211.791 flat angles P-C4'-P energy: -139.524 tors. eta vs tors. theta energy: -244.612 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: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2807.414045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.414045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.414045 (E_RNA) where: Base-Base interactions energy: -1878.332 where: short stacking energy: -782.604 Base-Backbone interact. energy: -7.137 local terms energy: -921.945059 where: bonds (distance) C4'-P energy: -172.084 bonds (distance) P-C4' energy: -186.791 flat angles C4'-P-C4' energy: -195.359 flat angles P-C4'-P energy: -137.117 tors. eta vs tors. theta energy: -230.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2597.606167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.606167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.606167 (E_RNA) where: Base-Base interactions energy: -1735.971 where: short stacking energy: -753.043 Base-Backbone interact. energy: -3.784 local terms energy: -857.850718 where: bonds (distance) C4'-P energy: -177.112 bonds (distance) P-C4' energy: -168.176 flat angles C4'-P-C4' energy: -197.110 flat angles P-C4'-P energy: -115.043 tors. eta vs tors. theta energy: -200.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2477.054338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.054338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.054338 (E_RNA) where: Base-Base interactions energy: -1621.921 where: short stacking energy: -718.806 Base-Backbone interact. energy: 0.928 local terms energy: -856.061627 where: bonds (distance) C4'-P energy: -176.502 bonds (distance) P-C4' energy: -152.298 flat angles C4'-P-C4' energy: -184.449 flat angles P-C4'-P energy: -115.520 tors. eta vs tors. theta energy: -227.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2309.146759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.146759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.146759 (E_RNA) where: Base-Base interactions energy: -1512.758 where: short stacking energy: -677.522 Base-Backbone interact. energy: -1.381 local terms energy: -795.008063 where: bonds (distance) C4'-P energy: -145.509 bonds (distance) P-C4' energy: -178.426 flat angles C4'-P-C4' energy: -167.543 flat angles P-C4'-P energy: -117.026 tors. eta vs tors. theta energy: -186.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1909.123133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.123133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.123133 (E_RNA) where: Base-Base interactions energy: -1187.739 where: short stacking energy: -527.939 Base-Backbone interact. energy: 2.503 local terms energy: -723.887293 where: bonds (distance) C4'-P energy: -164.526 bonds (distance) P-C4' energy: -162.702 flat angles C4'-P-C4' energy: -150.485 flat angles P-C4'-P energy: -125.227 tors. eta vs tors. theta energy: -120.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1770.555970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.555970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.555970 (E_RNA) where: Base-Base interactions energy: -1098.324 where: short stacking energy: -516.701 Base-Backbone interact. energy: 1.018 local terms energy: -673.250196 where: bonds (distance) C4'-P energy: -107.718 bonds (distance) P-C4' energy: -177.251 flat angles C4'-P-C4' energy: -154.589 flat angles P-C4'-P energy: -110.463 tors. eta vs tors. theta energy: -123.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1318.376996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.376996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.376996 (E_RNA) where: Base-Base interactions energy: -725.792 where: short stacking energy: -343.268 Base-Backbone interact. energy: -3.036 local terms energy: -589.549572 where: bonds (distance) C4'-P energy: -165.661 bonds (distance) P-C4' energy: -156.560 flat angles C4'-P-C4' energy: -131.668 flat angles P-C4'-P energy: -92.133 tors. eta vs tors. theta energy: -43.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -912.254187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.254187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.254187 (E_RNA) where: Base-Base interactions energy: -415.423 where: short stacking energy: -237.240 Base-Backbone interact. energy: 6.203 local terms energy: -503.033918 where: bonds (distance) C4'-P energy: -145.963 bonds (distance) P-C4' energy: -151.373 flat angles C4'-P-C4' energy: -135.080 flat angles P-C4'-P energy: -71.429 tors. eta vs tors. theta energy: 0.811 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: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -750.787320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.787320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.787320 (E_RNA) where: Base-Base interactions energy: -285.467 where: short stacking energy: -188.308 Base-Backbone interact. energy: 9.326 local terms energy: -474.646326 where: bonds (distance) C4'-P energy: -154.563 bonds (distance) P-C4' energy: -161.523 flat angles C4'-P-C4' energy: -117.522 flat angles P-C4'-P energy: -73.855 tors. eta vs tors. theta energy: 32.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2966.685143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.685143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.685143 (E_RNA) where: Base-Base interactions energy: -2020.517 where: short stacking energy: -840.780 Base-Backbone interact. energy: -0.477 local terms energy: -945.690950 where: bonds (distance) C4'-P energy: -170.601 bonds (distance) P-C4' energy: -180.783 flat angles C4'-P-C4' energy: -209.227 flat angles P-C4'-P energy: -151.273 tors. eta vs tors. theta energy: -233.806 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: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2799.644584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.644584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.644584 (E_RNA) where: Base-Base interactions energy: -1878.074 where: short stacking energy: -802.435 Base-Backbone interact. energy: 1.497 local terms energy: -923.067748 where: bonds (distance) C4'-P energy: -181.457 bonds (distance) P-C4' energy: -173.159 flat angles C4'-P-C4' energy: -201.318 flat angles P-C4'-P energy: -127.224 tors. eta vs tors. theta energy: -239.911 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: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2640.638916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.638916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.638916 (E_RNA) where: Base-Base interactions energy: -1793.053 where: short stacking energy: -757.161 Base-Backbone interact. energy: 0.538 local terms energy: -848.124340 where: bonds (distance) C4'-P energy: -157.374 bonds (distance) P-C4' energy: -163.236 flat angles C4'-P-C4' energy: -195.094 flat angles P-C4'-P energy: -122.811 tors. eta vs tors. theta energy: -209.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2464.637209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.637209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.637209 (E_RNA) where: Base-Base interactions energy: -1629.764 where: short stacking energy: -740.295 Base-Backbone interact. energy: -0.333 local terms energy: -834.540020 where: bonds (distance) C4'-P energy: -169.209 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -184.480 flat angles P-C4'-P energy: -114.212 tors. eta vs tors. theta energy: -221.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2288.140233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.140233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.140233 (E_RNA) where: Base-Base interactions energy: -1517.514 where: short stacking energy: -664.486 Base-Backbone interact. energy: -0.603 local terms energy: -770.022811 where: bonds (distance) C4'-P energy: -151.485 bonds (distance) P-C4' energy: -160.848 flat angles C4'-P-C4' energy: -167.523 flat angles P-C4'-P energy: -118.320 tors. eta vs tors. theta energy: -171.847 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: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1882.417460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.417460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.417460 (E_RNA) where: Base-Base interactions energy: -1174.490 where: short stacking energy: -543.304 Base-Backbone interact. energy: 6.925 local terms energy: -714.852764 where: bonds (distance) C4'-P energy: -150.379 bonds (distance) P-C4' energy: -142.247 flat angles C4'-P-C4' energy: -183.323 flat angles P-C4'-P energy: -96.385 tors. eta vs tors. theta energy: -142.518 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: 10 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1775.562068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.562068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.562068 (E_RNA) where: Base-Base interactions energy: -1101.630 where: short stacking energy: -511.489 Base-Backbone interact. energy: -3.396 local terms energy: -670.535669 where: bonds (distance) C4'-P energy: -164.218 bonds (distance) P-C4' energy: -152.726 flat angles C4'-P-C4' energy: -148.349 flat angles P-C4'-P energy: -88.263 tors. eta vs tors. theta energy: -116.980 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: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1221.837931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.837931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.837931 (E_RNA) where: Base-Base interactions energy: -656.071 where: short stacking energy: -327.624 Base-Backbone interact. energy: 0.138 local terms energy: -565.905302 where: bonds (distance) C4'-P energy: -150.203 bonds (distance) P-C4' energy: -165.731 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -83.152 tors. eta vs tors. theta energy: -21.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -933.454996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.454996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.454996 (E_RNA) where: Base-Base interactions energy: -435.659 where: short stacking energy: -267.816 Base-Backbone interact. energy: 7.177 local terms energy: -504.973203 where: bonds (distance) C4'-P energy: -147.559 bonds (distance) P-C4' energy: -164.174 flat angles C4'-P-C4' energy: -120.245 flat angles P-C4'-P energy: -78.743 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: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -801.702143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.702143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.702143 (E_RNA) where: Base-Base interactions energy: -399.080 where: short stacking energy: -254.409 Base-Backbone interact. energy: 2.211 local terms energy: -404.832930 where: bonds (distance) C4'-P energy: -136.918 bonds (distance) P-C4' energy: -134.814 flat angles C4'-P-C4' energy: -106.462 flat angles P-C4'-P energy: -41.318 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: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2965.094200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.094200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.094200 (E_RNA) where: Base-Base interactions energy: -1998.078 where: short stacking energy: -859.489 Base-Backbone interact. energy: -3.426 local terms energy: -963.590602 where: bonds (distance) C4'-P energy: -174.914 bonds (distance) P-C4' energy: -187.123 flat angles C4'-P-C4' energy: -194.925 flat angles P-C4'-P energy: -148.996 tors. eta vs tors. theta energy: -257.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2791.472142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.472142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.472142 (E_RNA) where: Base-Base interactions energy: -1861.961 where: short stacking energy: -781.010 Base-Backbone interact. energy: -4.711 local terms energy: -924.800187 where: bonds (distance) C4'-P energy: -155.568 bonds (distance) P-C4' energy: -197.185 flat angles C4'-P-C4' energy: -200.706 flat angles P-C4'-P energy: -136.081 tors. eta vs tors. theta energy: -235.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2581.043223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.043223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.043223 (E_RNA) where: Base-Base interactions energy: -1735.791 where: short stacking energy: -759.328 Base-Backbone interact. energy: -1.108 local terms energy: -844.144179 where: bonds (distance) C4'-P energy: -162.593 bonds (distance) P-C4' energy: -175.371 flat angles C4'-P-C4' energy: -192.028 flat angles P-C4'-P energy: -99.727 tors. eta vs tors. theta energy: -214.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2449.223981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.223981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.223981 (E_RNA) where: Base-Base interactions energy: -1621.935 where: short stacking energy: -690.546 Base-Backbone interact. energy: -2.231 local terms energy: -825.058030 where: bonds (distance) C4'-P energy: -170.123 bonds (distance) P-C4' energy: -178.095 flat angles C4'-P-C4' energy: -171.289 flat angles P-C4'-P energy: -110.382 tors. eta vs tors. theta energy: -195.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2330.965068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.965068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.965068 (E_RNA) where: Base-Base interactions energy: -1540.995 where: short stacking energy: -663.395 Base-Backbone interact. energy: 3.534 local terms energy: -793.503837 where: bonds (distance) C4'-P energy: -173.969 bonds (distance) P-C4' energy: -157.232 flat angles C4'-P-C4' energy: -179.335 flat angles P-C4'-P energy: -102.468 tors. eta vs tors. theta energy: -180.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1918.436245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.436245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.436245 (E_RNA) where: Base-Base interactions energy: -1215.714 where: short stacking energy: -531.733 Base-Backbone interact. energy: -4.451 local terms energy: -698.270753 where: bonds (distance) C4'-P energy: -158.645 bonds (distance) P-C4' energy: -151.156 flat angles C4'-P-C4' energy: -156.037 flat angles P-C4'-P energy: -111.080 tors. eta vs tors. theta energy: -121.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1828.783527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.783527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.783527 (E_RNA) where: Base-Base interactions energy: -1150.723 where: short stacking energy: -531.289 Base-Backbone interact. energy: -4.651 local terms energy: -673.409847 where: bonds (distance) C4'-P energy: -122.551 bonds (distance) P-C4' energy: -176.447 flat angles C4'-P-C4' energy: -145.720 flat angles P-C4'-P energy: -99.193 tors. eta vs tors. theta energy: -129.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1200.525797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.525797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.525797 (E_RNA) where: Base-Base interactions energy: -627.847 where: short stacking energy: -329.043 Base-Backbone interact. energy: 0.442 local terms energy: -573.120122 where: bonds (distance) C4'-P energy: -132.398 bonds (distance) P-C4' energy: -169.733 flat angles C4'-P-C4' energy: -151.299 flat angles P-C4'-P energy: -85.186 tors. eta vs tors. theta energy: -34.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -923.769333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.769333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.769333 (E_RNA) where: Base-Base interactions energy: -429.399 where: short stacking energy: -264.310 Base-Backbone interact. energy: 2.565 local terms energy: -496.934671 where: bonds (distance) C4'-P energy: -149.668 bonds (distance) P-C4' energy: -157.364 flat angles C4'-P-C4' energy: -116.912 flat angles P-C4'-P energy: -66.146 tors. eta vs tors. theta energy: -6.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -828.537472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.537472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.537472 (E_RNA) where: Base-Base interactions energy: -352.907 where: short stacking energy: -209.169 Base-Backbone interact. energy: -0.442 local terms energy: -475.189016 where: bonds (distance) C4'-P energy: -138.660 bonds (distance) P-C4' energy: -143.307 flat angles C4'-P-C4' energy: -121.360 flat angles P-C4'-P energy: -84.638 tors. eta vs tors. theta energy: 12.777 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: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2974.579112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.579112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.579112 (E_RNA) where: Base-Base interactions energy: -2020.469 where: short stacking energy: -848.060 Base-Backbone interact. energy: -2.884 local terms energy: -951.226104 where: bonds (distance) C4'-P energy: -190.717 bonds (distance) P-C4' energy: -182.172 flat angles C4'-P-C4' energy: -202.953 flat angles P-C4'-P energy: -130.268 tors. eta vs tors. theta energy: -245.117 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: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2822.591563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.591563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.591563 (E_RNA) where: Base-Base interactions energy: -1894.630 where: short stacking energy: -804.704 Base-Backbone interact. energy: -2.652 local terms energy: -925.310295 where: bonds (distance) C4'-P energy: -183.374 bonds (distance) P-C4' energy: -169.521 flat angles C4'-P-C4' energy: -199.637 flat angles P-C4'-P energy: -137.998 tors. eta vs tors. theta energy: -234.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2631.634247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.634247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.634247 (E_RNA) where: Base-Base interactions energy: -1788.346 where: short stacking energy: -777.684 Base-Backbone interact. energy: -2.539 local terms energy: -840.749014 where: bonds (distance) C4'-P energy: -147.981 bonds (distance) P-C4' energy: -166.525 flat angles C4'-P-C4' energy: -210.913 flat angles P-C4'-P energy: -118.047 tors. eta vs tors. theta energy: -197.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2398.595050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.595050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.595050 (E_RNA) where: Base-Base interactions energy: -1581.183 where: short stacking energy: -681.185 Base-Backbone interact. energy: -1.265 local terms energy: -816.146800 where: bonds (distance) C4'-P energy: -177.986 bonds (distance) P-C4' energy: -157.972 flat angles C4'-P-C4' energy: -196.957 flat angles P-C4'-P energy: -102.094 tors. eta vs tors. theta energy: -181.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2356.002812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.002812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.002812 (E_RNA) where: Base-Base interactions energy: -1573.006 where: short stacking energy: -685.071 Base-Backbone interact. energy: -1.431 local terms energy: -781.566080 where: bonds (distance) C4'-P energy: -140.553 bonds (distance) P-C4' energy: -151.447 flat angles C4'-P-C4' energy: -181.247 flat angles P-C4'-P energy: -127.440 tors. eta vs tors. theta energy: -180.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1904.773806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.773806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.773806 (E_RNA) where: Base-Base interactions energy: -1172.528 where: short stacking energy: -530.231 Base-Backbone interact. energy: -2.197 local terms energy: -730.049045 where: bonds (distance) C4'-P energy: -172.905 bonds (distance) P-C4' energy: -150.864 flat angles C4'-P-C4' energy: -161.420 flat angles P-C4'-P energy: -108.923 tors. eta vs tors. theta energy: -135.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1830.483266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.483266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.483266 (E_RNA) where: Base-Base interactions energy: -1186.886 where: short stacking energy: -482.096 Base-Backbone interact. energy: 5.439 local terms energy: -649.036389 where: bonds (distance) C4'-P energy: -130.744 bonds (distance) P-C4' energy: -175.372 flat angles C4'-P-C4' energy: -137.039 flat angles P-C4'-P energy: -106.544 tors. eta vs tors. theta energy: -99.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1227.278836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.278836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.278836 (E_RNA) where: Base-Base interactions energy: -656.543 where: short stacking energy: -336.534 Base-Backbone interact. energy: -4.351 local terms energy: -566.384642 where: bonds (distance) C4'-P energy: -147.547 bonds (distance) P-C4' energy: -149.518 flat angles C4'-P-C4' energy: -155.733 flat angles P-C4'-P energy: -79.972 tors. eta vs tors. theta energy: -33.615 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: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -940.655666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.655666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.655666 (E_RNA) where: Base-Base interactions energy: -450.196 where: short stacking energy: -246.981 Base-Backbone interact. energy: -1.104 local terms energy: -489.355777 where: bonds (distance) C4'-P energy: -137.683 bonds (distance) P-C4' energy: -167.458 flat angles C4'-P-C4' energy: -132.584 flat angles P-C4'-P energy: -68.123 tors. eta vs tors. theta energy: 16.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -763.716213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.716213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.716213 (E_RNA) where: Base-Base interactions energy: -312.016 where: short stacking energy: -195.803 Base-Backbone interact. energy: -1.999 local terms energy: -449.700725 where: bonds (distance) C4'-P energy: -146.701 bonds (distance) P-C4' energy: -173.812 flat angles C4'-P-C4' energy: -111.138 flat angles P-C4'-P energy: -49.202 tors. eta vs tors. theta energy: 31.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2970.080280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.080280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.080280 (E_RNA) where: Base-Base interactions energy: -2034.053 where: short stacking energy: -835.802 Base-Backbone interact. energy: -6.966 local terms energy: -929.061174 where: bonds (distance) C4'-P energy: -170.936 bonds (distance) P-C4' energy: -182.991 flat angles C4'-P-C4' energy: -191.561 flat angles P-C4'-P energy: -149.590 tors. eta vs tors. theta energy: -233.983 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: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2817.687766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.687766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.687766 (E_RNA) where: Base-Base interactions energy: -1895.126 where: short stacking energy: -808.297 Base-Backbone interact. energy: -8.998 local terms energy: -913.563506 where: bonds (distance) C4'-P energy: -164.908 bonds (distance) P-C4' energy: -185.969 flat angles C4'-P-C4' energy: -199.249 flat angles P-C4'-P energy: -125.180 tors. eta vs tors. theta energy: -238.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2657.247701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.247701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.247701 (E_RNA) where: Base-Base interactions energy: -1761.961 where: short stacking energy: -758.172 Base-Backbone interact. energy: -3.484 local terms energy: -891.802757 where: bonds (distance) C4'-P energy: -165.600 bonds (distance) P-C4' energy: -175.351 flat angles C4'-P-C4' energy: -198.650 flat angles P-C4'-P energy: -128.355 tors. eta vs tors. theta energy: -223.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2401.144861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.144861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.144861 (E_RNA) where: Base-Base interactions energy: -1550.064 where: short stacking energy: -674.547 Base-Backbone interact. energy: -2.563 local terms energy: -848.517527 where: bonds (distance) C4'-P energy: -159.963 bonds (distance) P-C4' energy: -182.616 flat angles C4'-P-C4' energy: -195.327 flat angles P-C4'-P energy: -116.886 tors. eta vs tors. theta energy: -193.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2226.064329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.064329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.064329 (E_RNA) where: Base-Base interactions energy: -1469.885 where: short stacking energy: -654.167 Base-Backbone interact. energy: -1.888 local terms energy: -754.290736 where: bonds (distance) C4'-P energy: -159.846 bonds (distance) P-C4' energy: -139.433 flat angles C4'-P-C4' energy: -168.210 flat angles P-C4'-P energy: -117.433 tors. eta vs tors. theta energy: -169.369 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: 192 Temperature: 1.150000 Total energy: -1855.672031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.672031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.672031 (E_RNA) where: Base-Base interactions energy: -1147.157 where: short stacking energy: -524.801 Base-Backbone interact. energy: -3.177 local terms energy: -705.337616 where: bonds (distance) C4'-P energy: -162.388 bonds (distance) P-C4' energy: -167.120 flat angles C4'-P-C4' energy: -169.737 flat angles P-C4'-P energy: -85.254 tors. eta vs tors. theta energy: -120.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1867.631151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.631151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.631151 (E_RNA) where: Base-Base interactions energy: -1185.349 where: short stacking energy: -517.162 Base-Backbone interact. energy: -0.281 local terms energy: -682.001442 where: bonds (distance) C4'-P energy: -149.644 bonds (distance) P-C4' energy: -154.730 flat angles C4'-P-C4' energy: -167.193 flat angles P-C4'-P energy: -94.752 tors. eta vs tors. theta energy: -115.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1243.073255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.073255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.073255 (E_RNA) where: Base-Base interactions energy: -672.680 where: short stacking energy: -336.920 Base-Backbone interact. energy: 0.659 local terms energy: -571.052358 where: bonds (distance) C4'-P energy: -160.428 bonds (distance) P-C4' energy: -134.140 flat angles C4'-P-C4' energy: -130.542 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -44.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -958.435571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.435571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.435571 (E_RNA) where: Base-Base interactions energy: -431.128 where: short stacking energy: -237.068 Base-Backbone interact. energy: -0.566 local terms energy: -526.741261 where: bonds (distance) C4'-P energy: -143.428 bonds (distance) P-C4' energy: -170.379 flat angles C4'-P-C4' energy: -141.089 flat angles P-C4'-P energy: -72.862 tors. eta vs tors. theta energy: 1.017 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: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -728.873533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.873533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.873533 (E_RNA) where: Base-Base interactions energy: -270.573 where: short stacking energy: -169.076 Base-Backbone interact. energy: 3.833 local terms energy: -462.133231 where: bonds (distance) C4'-P energy: -152.901 bonds (distance) P-C4' energy: -149.257 flat angles C4'-P-C4' energy: -123.931 flat angles P-C4'-P energy: -77.022 tors. eta vs tors. theta energy: 40.978 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: 9 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2985.804744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.804744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.804744 (E_RNA) where: Base-Base interactions energy: -2009.241 where: short stacking energy: -878.417 Base-Backbone interact. energy: -7.049 local terms energy: -969.514044 where: bonds (distance) C4'-P energy: -187.974 bonds (distance) P-C4' energy: -171.646 flat angles C4'-P-C4' energy: -213.813 flat angles P-C4'-P energy: -140.436 tors. eta vs tors. theta energy: -255.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2831.703640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.703640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.703640 (E_RNA) where: Base-Base interactions energy: -1903.879 where: short stacking energy: -763.804 Base-Backbone interact. energy: -2.731 local terms energy: -925.094030 where: bonds (distance) C4'-P energy: -156.920 bonds (distance) P-C4' energy: -188.449 flat angles C4'-P-C4' energy: -199.550 flat angles P-C4'-P energy: -137.264 tors. eta vs tors. theta energy: -242.911 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: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2657.445833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.445833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.445833 (E_RNA) where: Base-Base interactions energy: -1758.599 where: short stacking energy: -733.775 Base-Backbone interact. energy: -0.725 local terms energy: -898.122118 where: bonds (distance) C4'-P energy: -177.555 bonds (distance) P-C4' energy: -192.349 flat angles C4'-P-C4' energy: -198.606 flat angles P-C4'-P energy: -120.209 tors. eta vs tors. theta energy: -209.403 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: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2431.523350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.523350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.523350 (E_RNA) where: Base-Base interactions energy: -1594.361 where: short stacking energy: -698.227 Base-Backbone interact. energy: -1.825 local terms energy: -835.336930 where: bonds (distance) C4'-P energy: -173.191 bonds (distance) P-C4' energy: -161.941 flat angles C4'-P-C4' energy: -193.581 flat angles P-C4'-P energy: -96.249 tors. eta vs tors. theta energy: -210.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2231.427579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.427579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.427579 (E_RNA) where: Base-Base interactions energy: -1425.794 where: short stacking energy: -607.607 Base-Backbone interact. energy: -1.414 local terms energy: -804.219266 where: bonds (distance) C4'-P energy: -179.654 bonds (distance) P-C4' energy: -164.020 flat angles C4'-P-C4' energy: -186.195 flat angles P-C4'-P energy: -111.337 tors. eta vs tors. theta energy: -163.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1951.090536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.090536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.090536 (E_RNA) where: Base-Base interactions energy: -1231.810 where: short stacking energy: -530.934 Base-Backbone interact. energy: -0.895 local terms energy: -718.386105 where: bonds (distance) C4'-P energy: -176.725 bonds (distance) P-C4' energy: -164.552 flat angles C4'-P-C4' energy: -156.030 flat angles P-C4'-P energy: -101.830 tors. eta vs tors. theta energy: -119.249 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: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1750.269023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.269023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.269023 (E_RNA) where: Base-Base interactions energy: -1094.758 where: short stacking energy: -498.975 Base-Backbone interact. energy: 8.670 local terms energy: -664.181397 where: bonds (distance) C4'-P energy: -151.341 bonds (distance) P-C4' energy: -145.928 flat angles C4'-P-C4' energy: -164.789 flat angles P-C4'-P energy: -90.736 tors. eta vs tors. theta energy: -111.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1237.899873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.899873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.899873 (E_RNA) where: Base-Base interactions energy: -632.961 where: short stacking energy: -323.735 Base-Backbone interact. energy: 0.753 local terms energy: -605.691510 where: bonds (distance) C4'-P energy: -161.534 bonds (distance) P-C4' energy: -158.333 flat angles C4'-P-C4' energy: -147.324 flat angles P-C4'-P energy: -107.045 tors. eta vs tors. theta energy: -31.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -949.821128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.821128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.821128 (E_RNA) where: Base-Base interactions energy: -458.142 where: short stacking energy: -248.157 Base-Backbone interact. energy: -2.188 local terms energy: -489.490768 where: bonds (distance) C4'-P energy: -148.913 bonds (distance) P-C4' energy: -148.300 flat angles C4'-P-C4' energy: -116.211 flat angles P-C4'-P energy: -84.851 tors. eta vs tors. theta energy: 8.784 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: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -771.543942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.543942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.543942 (E_RNA) where: Base-Base interactions energy: -320.973 where: short stacking energy: -206.996 Base-Backbone interact. energy: -0.048 local terms energy: -450.523399 where: bonds (distance) C4'-P energy: -138.385 bonds (distance) P-C4' energy: -169.581 flat angles C4'-P-C4' energy: -106.824 flat angles P-C4'-P energy: -59.363 tors. eta vs tors. theta energy: 23.629 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: 9 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2981.435258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.435258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.435258 (E_RNA) where: Base-Base interactions energy: -1994.602 where: short stacking energy: -873.622 Base-Backbone interact. energy: -3.416 local terms energy: -983.417083 where: bonds (distance) C4'-P energy: -179.621 bonds (distance) P-C4' energy: -186.427 flat angles C4'-P-C4' energy: -218.110 flat angles P-C4'-P energy: -132.308 tors. eta vs tors. theta energy: -266.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2827.943212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.943212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.943212 (E_RNA) where: Base-Base interactions energy: -1916.481 where: short stacking energy: -803.134 Base-Backbone interact. energy: -1.151 local terms energy: -910.310877 where: bonds (distance) C4'-P energy: -163.860 bonds (distance) P-C4' energy: -185.258 flat angles C4'-P-C4' energy: -199.274 flat angles P-C4'-P energy: -140.465 tors. eta vs tors. theta energy: -221.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2558.180211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.180211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.180211 (E_RNA) where: Base-Base interactions energy: -1687.485 where: short stacking energy: -725.257 Base-Backbone interact. energy: 6.942 local terms energy: -877.637717 where: bonds (distance) C4'-P energy: -185.600 bonds (distance) P-C4' energy: -169.210 flat angles C4'-P-C4' energy: -192.492 flat angles P-C4'-P energy: -116.715 tors. eta vs tors. theta energy: -213.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2456.064916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.064916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.064916 (E_RNA) where: Base-Base interactions energy: -1583.971 where: short stacking energy: -707.849 Base-Backbone interact. energy: -4.531 local terms energy: -867.562974 where: bonds (distance) C4'-P energy: -164.549 bonds (distance) P-C4' energy: -188.259 flat angles C4'-P-C4' energy: -191.025 flat angles P-C4'-P energy: -114.417 tors. eta vs tors. theta energy: -209.313 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: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2267.527716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.527716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.527716 (E_RNA) where: Base-Base interactions energy: -1475.302 where: short stacking energy: -634.170 Base-Backbone interact. energy: -1.044 local terms energy: -791.181472 where: bonds (distance) C4'-P energy: -157.399 bonds (distance) P-C4' energy: -179.665 flat angles C4'-P-C4' energy: -171.374 flat angles P-C4'-P energy: -112.049 tors. eta vs tors. theta energy: -170.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2002.696034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.696034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.696034 (E_RNA) where: Base-Base interactions energy: -1292.780 where: short stacking energy: -564.159 Base-Backbone interact. energy: -4.799 local terms energy: -705.116806 where: bonds (distance) C4'-P energy: -156.704 bonds (distance) P-C4' energy: -176.024 flat angles C4'-P-C4' energy: -155.065 flat angles P-C4'-P energy: -91.675 tors. eta vs tors. theta energy: -125.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1717.859914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.859914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.859914 (E_RNA) where: Base-Base interactions energy: -1076.120 where: short stacking energy: -487.922 Base-Backbone interact. energy: -0.609 local terms energy: -641.131751 where: bonds (distance) C4'-P energy: -149.738 bonds (distance) P-C4' energy: -142.791 flat angles C4'-P-C4' energy: -147.741 flat angles P-C4'-P energy: -87.377 tors. eta vs tors. theta energy: -113.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1229.744041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.744041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.744041 (E_RNA) where: Base-Base interactions energy: -670.902 where: short stacking energy: -357.344 Base-Backbone interact. energy: -3.567 local terms energy: -555.274216 where: bonds (distance) C4'-P energy: -142.372 bonds (distance) P-C4' energy: -147.702 flat angles C4'-P-C4' energy: -164.732 flat angles P-C4'-P energy: -71.532 tors. eta vs tors. theta energy: -28.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -906.991728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.991728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.991728 (E_RNA) where: Base-Base interactions energy: -408.435 where: short stacking energy: -216.860 Base-Backbone interact. energy: 1.436 local terms energy: -499.993357 where: bonds (distance) C4'-P energy: -144.003 bonds (distance) P-C4' energy: -139.415 flat angles C4'-P-C4' energy: -133.484 flat angles P-C4'-P energy: -89.816 tors. eta vs tors. theta energy: 6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -805.711021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.711021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.711021 (E_RNA) where: Base-Base interactions energy: -329.403 where: short stacking energy: -194.534 Base-Backbone interact. energy: 0.667 local terms energy: -476.974818 where: bonds (distance) C4'-P energy: -129.829 bonds (distance) P-C4' energy: -164.663 flat angles C4'-P-C4' energy: -109.251 flat angles P-C4'-P energy: -76.793 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: 195 Temperature: 0.900000 Total energy: -2932.501218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.501218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.501218 (E_RNA) where: Base-Base interactions energy: -2011.245 where: short stacking energy: -845.539 Base-Backbone interact. energy: -2.575 local terms energy: -918.682045 where: bonds (distance) C4'-P energy: -169.593 bonds (distance) P-C4' energy: -188.137 flat angles C4'-P-C4' energy: -203.510 flat angles P-C4'-P energy: -113.640 tors. eta vs tors. theta energy: -243.801 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: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2790.924715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.924715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.924715 (E_RNA) where: Base-Base interactions energy: -1887.105 where: short stacking energy: -803.086 Base-Backbone interact. energy: -0.207 local terms energy: -903.612852 where: bonds (distance) C4'-P energy: -171.264 bonds (distance) P-C4' energy: -177.309 flat angles C4'-P-C4' energy: -199.775 flat angles P-C4'-P energy: -123.652 tors. eta vs tors. theta energy: -231.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2641.876909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.876909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.876909 (E_RNA) where: Base-Base interactions energy: -1735.518 where: short stacking energy: -779.280 Base-Backbone interact. energy: -2.343 local terms energy: -904.015751 where: bonds (distance) C4'-P energy: -185.207 bonds (distance) P-C4' energy: -158.283 flat angles C4'-P-C4' energy: -198.566 flat angles P-C4'-P energy: -124.544 tors. eta vs tors. theta energy: -237.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2518.620712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.620712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.620712 (E_RNA) where: Base-Base interactions energy: -1642.057 where: short stacking energy: -704.320 Base-Backbone interact. energy: -1.527 local terms energy: -875.036388 where: bonds (distance) C4'-P energy: -172.312 bonds (distance) P-C4' energy: -182.164 flat angles C4'-P-C4' energy: -190.748 flat angles P-C4'-P energy: -119.707 tors. eta vs tors. theta energy: -210.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2248.842091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.842091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.842091 (E_RNA) where: Base-Base interactions energy: -1453.626 where: short stacking energy: -634.731 Base-Backbone interact. energy: -4.975 local terms energy: -790.240980 where: bonds (distance) C4'-P energy: -144.446 bonds (distance) P-C4' energy: -173.767 flat angles C4'-P-C4' energy: -175.787 flat angles P-C4'-P energy: -116.392 tors. eta vs tors. theta energy: -179.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1951.885118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.885118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.885118 (E_RNA) where: Base-Base interactions energy: -1219.394 where: short stacking energy: -561.054 Base-Backbone interact. energy: -5.921 local terms energy: -726.570193 where: bonds (distance) C4'-P energy: -157.962 bonds (distance) P-C4' energy: -164.498 flat angles C4'-P-C4' energy: -156.248 flat angles P-C4'-P energy: -112.015 tors. eta vs tors. theta energy: -135.847 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: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1766.907925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.907925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.907925 (E_RNA) where: Base-Base interactions energy: -1091.924 where: short stacking energy: -532.058 Base-Backbone interact. energy: 0.561 local terms energy: -675.544877 where: bonds (distance) C4'-P energy: -160.524 bonds (distance) P-C4' energy: -157.981 flat angles C4'-P-C4' energy: -159.564 flat angles P-C4'-P energy: -91.790 tors. eta vs tors. theta energy: -105.685 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: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1213.038446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.038446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.038446 (E_RNA) where: Base-Base interactions energy: -669.477 where: short stacking energy: -341.788 Base-Backbone interact. energy: 1.015 local terms energy: -544.576294 where: bonds (distance) C4'-P energy: -148.050 bonds (distance) P-C4' energy: -138.982 flat angles C4'-P-C4' energy: -139.644 flat angles P-C4'-P energy: -80.562 tors. eta vs tors. theta energy: -37.339 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: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -920.278736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.278736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.278736 (E_RNA) where: Base-Base interactions energy: -415.054 where: short stacking energy: -213.778 Base-Backbone interact. energy: 1.497 local terms energy: -506.721707 where: bonds (distance) C4'-P energy: -161.604 bonds (distance) P-C4' energy: -159.454 flat angles C4'-P-C4' energy: -118.435 flat angles P-C4'-P energy: -81.210 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: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -757.795321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.795321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.795321 (E_RNA) where: Base-Base interactions energy: -328.243 where: short stacking energy: -191.337 Base-Backbone interact. energy: -1.850 local terms energy: -427.701581 where: bonds (distance) C4'-P energy: -120.139 bonds (distance) P-C4' energy: -148.312 flat angles C4'-P-C4' energy: -131.659 flat angles P-C4'-P energy: -59.971 tors. eta vs tors. theta energy: 32.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2941.612757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.612757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.612757 (E_RNA) where: Base-Base interactions energy: -1990.308 where: short stacking energy: -842.878 Base-Backbone interact. energy: -5.381 local terms energy: -945.923948 where: bonds (distance) C4'-P energy: -179.788 bonds (distance) P-C4' energy: -166.217 flat angles C4'-P-C4' energy: -199.856 flat angles P-C4'-P energy: -147.194 tors. eta vs tors. theta energy: -252.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2831.701915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.701915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.701915 (E_RNA) where: Base-Base interactions energy: -1901.207 where: short stacking energy: -803.760 Base-Backbone interact. energy: -0.842 local terms energy: -929.652755 where: bonds (distance) C4'-P energy: -183.719 bonds (distance) P-C4' energy: -181.487 flat angles C4'-P-C4' energy: -189.734 flat angles P-C4'-P energy: -129.284 tors. eta vs tors. theta energy: -245.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2666.982095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.982095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.982095 (E_RNA) where: Base-Base interactions energy: -1781.957 where: short stacking energy: -765.973 Base-Backbone interact. energy: 7.452 local terms energy: -892.476700 where: bonds (distance) C4'-P energy: -166.738 bonds (distance) P-C4' energy: -175.494 flat angles C4'-P-C4' energy: -198.436 flat angles P-C4'-P energy: -134.352 tors. eta vs tors. theta energy: -217.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2552.266669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.266669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.266669 (E_RNA) where: Base-Base interactions energy: -1715.875 where: short stacking energy: -749.865 Base-Backbone interact. energy: 0.165 local terms energy: -836.557337 where: bonds (distance) C4'-P energy: -153.685 bonds (distance) P-C4' energy: -167.905 flat angles C4'-P-C4' energy: -177.971 flat angles P-C4'-P energy: -117.142 tors. eta vs tors. theta energy: -219.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2254.106711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.106711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.106711 (E_RNA) where: Base-Base interactions energy: -1492.893 where: short stacking energy: -670.169 Base-Backbone interact. energy: -2.601 local terms energy: -758.612509 where: bonds (distance) C4'-P energy: -154.012 bonds (distance) P-C4' energy: -160.476 flat angles C4'-P-C4' energy: -173.694 flat angles P-C4'-P energy: -99.921 tors. eta vs tors. theta energy: -170.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1992.907788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.907788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.907788 (E_RNA) where: Base-Base interactions energy: -1256.038 where: short stacking energy: -543.295 Base-Backbone interact. energy: -4.123 local terms energy: -732.746666 where: bonds (distance) C4'-P energy: -157.438 bonds (distance) P-C4' energy: -169.481 flat angles C4'-P-C4' energy: -163.468 flat angles P-C4'-P energy: -108.751 tors. eta vs tors. theta energy: -133.609 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: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1730.059383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.059383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.059383 (E_RNA) where: Base-Base interactions energy: -1057.815 where: short stacking energy: -488.778 Base-Backbone interact. energy: 2.174 local terms energy: -674.419120 where: bonds (distance) C4'-P energy: -147.380 bonds (distance) P-C4' energy: -160.906 flat angles C4'-P-C4' energy: -151.301 flat angles P-C4'-P energy: -95.146 tors. eta vs tors. theta energy: -119.686 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: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1221.876629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.876629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.876629 (E_RNA) where: Base-Base interactions energy: -694.899 where: short stacking energy: -369.721 Base-Backbone interact. energy: -2.674 local terms energy: -524.304311 where: bonds (distance) C4'-P energy: -150.885 bonds (distance) P-C4' energy: -155.892 flat angles C4'-P-C4' energy: -108.131 flat angles P-C4'-P energy: -77.744 tors. eta vs tors. theta energy: -31.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -916.601924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.601924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.601924 (E_RNA) where: Base-Base interactions energy: -415.501 where: short stacking energy: -245.728 Base-Backbone interact. energy: 3.035 local terms energy: -504.135842 where: bonds (distance) C4'-P energy: -162.062 bonds (distance) P-C4' energy: -142.256 flat angles C4'-P-C4' energy: -125.328 flat angles P-C4'-P energy: -73.632 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -738.068586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.068586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.068586 (E_RNA) where: Base-Base interactions energy: -306.382 where: short stacking energy: -231.264 Base-Backbone interact. energy: 2.839 local terms energy: -434.525432 where: bonds (distance) C4'-P energy: -147.369 bonds (distance) P-C4' energy: -136.223 flat angles C4'-P-C4' energy: -111.926 flat angles P-C4'-P energy: -61.638 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: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2933.538084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.538084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.538084 (E_RNA) where: Base-Base interactions energy: -1985.468 where: short stacking energy: -847.342 Base-Backbone interact. energy: -1.908 local terms energy: -946.162220 where: bonds (distance) C4'-P energy: -173.760 bonds (distance) P-C4' energy: -183.133 flat angles C4'-P-C4' energy: -205.280 flat angles P-C4'-P energy: -141.087 tors. eta vs tors. theta energy: -242.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2878.539994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.539994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.539994 (E_RNA) where: Base-Base interactions energy: -1919.874 where: short stacking energy: -824.780 Base-Backbone interact. energy: -3.195 local terms energy: -955.471629 where: bonds (distance) C4'-P energy: -181.878 bonds (distance) P-C4' energy: -189.633 flat angles C4'-P-C4' energy: -200.444 flat angles P-C4'-P energy: -129.157 tors. eta vs tors. theta energy: -254.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2606.361442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.361442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.361442 (E_RNA) where: Base-Base interactions energy: -1731.114 where: short stacking energy: -727.110 Base-Backbone interact. energy: -3.489 local terms energy: -871.758789 where: bonds (distance) C4'-P energy: -169.364 bonds (distance) P-C4' energy: -177.972 flat angles C4'-P-C4' energy: -199.812 flat angles P-C4'-P energy: -124.870 tors. eta vs tors. theta energy: -199.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2452.613316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.613316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.613316 (E_RNA) where: Base-Base interactions energy: -1613.149 where: short stacking energy: -685.301 Base-Backbone interact. energy: -2.777 local terms energy: -836.687265 where: bonds (distance) C4'-P energy: -172.085 bonds (distance) P-C4' energy: -162.618 flat angles C4'-P-C4' energy: -200.895 flat angles P-C4'-P energy: -105.775 tors. eta vs tors. theta energy: -195.314 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: 5, replica: 7 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2342.153666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.153666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.153666 (E_RNA) where: Base-Base interactions energy: -1545.978 where: short stacking energy: -681.893 Base-Backbone interact. energy: 0.647 local terms energy: -796.822693 where: bonds (distance) C4'-P energy: -150.447 bonds (distance) P-C4' energy: -166.404 flat angles C4'-P-C4' energy: -171.146 flat angles P-C4'-P energy: -124.538 tors. eta vs tors. theta energy: -184.287 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: 10 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2042.606970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.606970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.606970 (E_RNA) where: Base-Base interactions energy: -1287.560 where: short stacking energy: -574.408 Base-Backbone interact. energy: -1.355 local terms energy: -753.692424 where: bonds (distance) C4'-P energy: -168.560 bonds (distance) P-C4' energy: -176.446 flat angles C4'-P-C4' energy: -169.450 flat angles P-C4'-P energy: -94.290 tors. eta vs tors. theta energy: -144.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1802.614606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.614606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.614606 (E_RNA) where: Base-Base interactions energy: -1144.745 where: short stacking energy: -479.995 Base-Backbone interact. energy: -0.943 local terms energy: -656.927265 where: bonds (distance) C4'-P energy: -156.025 bonds (distance) P-C4' energy: -162.056 flat angles C4'-P-C4' energy: -151.767 flat angles P-C4'-P energy: -95.564 tors. eta vs tors. theta energy: -91.515 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: 1 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1228.335163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.335163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.335163 (E_RNA) where: Base-Base interactions energy: -682.628 where: short stacking energy: -374.538 Base-Backbone interact. energy: 3.764 local terms energy: -549.470851 where: bonds (distance) C4'-P energy: -138.074 bonds (distance) P-C4' energy: -145.114 flat angles C4'-P-C4' energy: -140.388 flat angles P-C4'-P energy: -79.307 tors. eta vs tors. theta energy: -46.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -920.295371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.295371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.295371 (E_RNA) where: Base-Base interactions energy: -396.194 where: short stacking energy: -221.496 Base-Backbone interact. energy: 2.373 local terms energy: -526.474560 where: bonds (distance) C4'-P energy: -164.224 bonds (distance) P-C4' energy: -188.887 flat angles C4'-P-C4' energy: -120.867 flat angles P-C4'-P energy: -76.970 tors. eta vs tors. theta energy: 24.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -709.617609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.617609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.617609 (E_RNA) where: Base-Base interactions energy: -288.041 where: short stacking energy: -201.347 Base-Backbone interact. energy: 5.673 local terms energy: -427.249702 where: bonds (distance) C4'-P energy: -139.422 bonds (distance) P-C4' energy: -151.344 flat angles C4'-P-C4' energy: -115.158 flat angles P-C4'-P energy: -51.567 tors. eta vs tors. theta energy: 30.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2934.291144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.291144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.291144 (E_RNA) where: Base-Base interactions energy: -1951.592 where: short stacking energy: -849.350 Base-Backbone interact. energy: -6.514 local terms energy: -976.185532 where: bonds (distance) C4'-P energy: -187.047 bonds (distance) P-C4' energy: -178.597 flat angles C4'-P-C4' energy: -207.068 flat angles P-C4'-P energy: -138.004 tors. eta vs tors. theta energy: -265.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2877.330569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.330569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.330569 (E_RNA) where: Base-Base interactions energy: -1905.168 where: short stacking energy: -807.026 Base-Backbone interact. energy: -5.692 local terms energy: -966.470315 where: bonds (distance) C4'-P energy: -178.793 bonds (distance) P-C4' energy: -191.605 flat angles C4'-P-C4' energy: -212.659 flat angles P-C4'-P energy: -142.056 tors. eta vs tors. theta energy: -241.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2642.783660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.783660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.783660 (E_RNA) where: Base-Base interactions energy: -1764.288 where: short stacking energy: -777.873 Base-Backbone interact. energy: 1.919 local terms energy: -880.414131 where: bonds (distance) C4'-P energy: -162.357 bonds (distance) P-C4' energy: -184.825 flat angles C4'-P-C4' energy: -187.058 flat angles P-C4'-P energy: -132.202 tors. eta vs tors. theta energy: -213.972 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: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2482.365808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.365808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.365808 (E_RNA) where: Base-Base interactions energy: -1647.897 where: short stacking energy: -706.313 Base-Backbone interact. energy: -2.295 local terms energy: -832.173343 where: bonds (distance) C4'-P energy: -160.071 bonds (distance) P-C4' energy: -168.570 flat angles C4'-P-C4' energy: -203.094 flat angles P-C4'-P energy: -107.699 tors. eta vs tors. theta energy: -192.739 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: 7 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2330.522943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.522943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.522943 (E_RNA) where: Base-Base interactions energy: -1509.313 where: short stacking energy: -675.786 Base-Backbone interact. energy: 1.926 local terms energy: -823.135866 where: bonds (distance) C4'-P energy: -165.089 bonds (distance) P-C4' energy: -166.324 flat angles C4'-P-C4' energy: -183.909 flat angles P-C4'-P energy: -132.088 tors. eta vs tors. theta energy: -175.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1998.230116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.230116 (E_RNA) where: Base-Base interactions energy: -1314.194 where: short stacking energy: -559.251 Base-Backbone interact. energy: -1.195 local terms energy: -682.841436 where: bonds (distance) C4'-P energy: -165.056 bonds (distance) P-C4' energy: -157.742 flat angles C4'-P-C4' energy: -135.288 flat angles P-C4'-P energy: -95.629 tors. eta vs tors. theta energy: -129.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1826.657081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.657081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.657081 (E_RNA) where: Base-Base interactions energy: -1147.414 where: short stacking energy: -495.396 Base-Backbone interact. energy: 0.099 local terms energy: -679.342374 where: bonds (distance) C4'-P energy: -157.207 bonds (distance) P-C4' energy: -153.175 flat angles C4'-P-C4' energy: -167.102 flat angles P-C4'-P energy: -89.721 tors. eta vs tors. theta energy: -112.137 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: 1 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1259.214115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.214115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.214115 (E_RNA) where: Base-Base interactions energy: -686.916 where: short stacking energy: -349.945 Base-Backbone interact. energy: 1.390 local terms energy: -573.687689 where: bonds (distance) C4'-P energy: -144.999 bonds (distance) P-C4' energy: -124.261 flat angles C4'-P-C4' energy: -152.233 flat angles P-C4'-P energy: -106.555 tors. eta vs tors. theta energy: -45.639 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: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -884.115488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.115488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.115488 (E_RNA) where: Base-Base interactions energy: -406.276 where: short stacking energy: -257.899 Base-Backbone interact. energy: 0.571 local terms energy: -478.410717 where: bonds (distance) C4'-P energy: -137.406 bonds (distance) P-C4' energy: -153.229 flat angles C4'-P-C4' energy: -145.665 flat angles P-C4'-P energy: -54.841 tors. eta vs tors. theta energy: 12.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -748.905746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.905746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.905746 (E_RNA) where: Base-Base interactions energy: -291.144 where: short stacking energy: -212.983 Base-Backbone interact. energy: -2.728 local terms energy: -455.033087 where: bonds (distance) C4'-P energy: -135.740 bonds (distance) P-C4' energy: -147.977 flat angles C4'-P-C4' energy: -118.974 flat angles P-C4'-P energy: -88.568 tors. eta vs tors. theta energy: 36.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2939.404568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.404568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.404568 (E_RNA) where: Base-Base interactions energy: -1989.871 where: short stacking energy: -824.924 Base-Backbone interact. energy: -5.854 local terms energy: -943.680016 where: bonds (distance) C4'-P energy: -183.461 bonds (distance) P-C4' energy: -178.250 flat angles C4'-P-C4' energy: -201.285 flat angles P-C4'-P energy: -132.537 tors. eta vs tors. theta energy: -248.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2883.410037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.410037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.410037 (E_RNA) where: Base-Base interactions energy: -1920.070 where: short stacking energy: -825.519 Base-Backbone interact. energy: -5.329 local terms energy: -958.011032 where: bonds (distance) C4'-P energy: -178.711 bonds (distance) P-C4' energy: -168.187 flat angles C4'-P-C4' energy: -218.318 flat angles P-C4'-P energy: -139.666 tors. eta vs tors. theta energy: -253.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2653.340447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.340447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.340447 (E_RNA) where: Base-Base interactions energy: -1786.282 where: short stacking energy: -759.276 Base-Backbone interact. energy: -0.368 local terms energy: -866.690488 where: bonds (distance) C4'-P energy: -160.092 bonds (distance) P-C4' energy: -195.279 flat angles C4'-P-C4' energy: -187.226 flat angles P-C4'-P energy: -116.174 tors. eta vs tors. theta energy: -207.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2462.626183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.626183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.626183 (E_RNA) where: Base-Base interactions energy: -1624.702 where: short stacking energy: -665.872 Base-Backbone interact. energy: -4.887 local terms energy: -833.036821 where: bonds (distance) C4'-P energy: -169.983 bonds (distance) P-C4' energy: -175.333 flat angles C4'-P-C4' energy: -178.743 flat angles P-C4'-P energy: -133.779 tors. eta vs tors. theta energy: -175.199 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: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2295.966156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.966156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.966156 (E_RNA) where: Base-Base interactions energy: -1480.673 where: short stacking energy: -670.835 Base-Backbone interact. energy: -6.696 local terms energy: -808.596900 where: bonds (distance) C4'-P energy: -168.145 bonds (distance) P-C4' energy: -169.610 flat angles C4'-P-C4' energy: -169.570 flat angles P-C4'-P energy: -116.624 tors. eta vs tors. theta energy: -184.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1996.202595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.202595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.202595 (E_RNA) where: Base-Base interactions energy: -1293.237 where: short stacking energy: -548.202 Base-Backbone interact. energy: 3.686 local terms energy: -706.652225 where: bonds (distance) C4'-P energy: -142.265 bonds (distance) P-C4' energy: -164.430 flat angles C4'-P-C4' energy: -167.548 flat angles P-C4'-P energy: -111.559 tors. eta vs tors. theta energy: -120.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1807.358890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.358890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.358890 (E_RNA) where: Base-Base interactions energy: -1126.964 where: short stacking energy: -514.179 Base-Backbone interact. energy: -4.533 local terms energy: -675.862409 where: bonds (distance) C4'-P energy: -152.697 bonds (distance) P-C4' energy: -163.281 flat angles C4'-P-C4' energy: -159.224 flat angles P-C4'-P energy: -96.174 tors. eta vs tors. theta energy: -104.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1261.857775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.857775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.857775 (E_RNA) where: Base-Base interactions energy: -678.647 where: short stacking energy: -332.903 Base-Backbone interact. energy: -1.077 local terms energy: -582.134256 where: bonds (distance) C4'-P energy: -134.206 bonds (distance) P-C4' energy: -175.719 flat angles C4'-P-C4' energy: -145.823 flat angles P-C4'-P energy: -90.182 tors. eta vs tors. theta energy: -36.204 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: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -835.638961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.638961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.638961 (E_RNA) where: Base-Base interactions energy: -340.776 where: short stacking energy: -216.007 Base-Backbone interact. energy: -3.747 local terms energy: -491.116798 where: bonds (distance) C4'-P energy: -136.625 bonds (distance) P-C4' energy: -180.292 flat angles C4'-P-C4' energy: -135.311 flat angles P-C4'-P energy: -53.743 tors. eta vs tors. theta energy: 14.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -771.039891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.039891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.039891 (E_RNA) where: Base-Base interactions energy: -338.813 where: short stacking energy: -207.798 Base-Backbone interact. energy: -1.268 local terms energy: -430.958729 where: bonds (distance) C4'-P energy: -124.817 bonds (distance) P-C4' energy: -149.016 flat angles C4'-P-C4' energy: -124.476 flat angles P-C4'-P energy: -74.532 tors. eta vs tors. theta energy: 41.882 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: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2921.717689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.717689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.717689 (E_RNA) where: Base-Base interactions energy: -1959.591 where: short stacking energy: -828.425 Base-Backbone interact. energy: -4.512 local terms energy: -957.614243 where: bonds (distance) C4'-P energy: -182.399 bonds (distance) P-C4' energy: -180.010 flat angles C4'-P-C4' energy: -207.810 flat angles P-C4'-P energy: -133.726 tors. eta vs tors. theta energy: -253.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2835.333867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.333867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.333867 (E_RNA) where: Base-Base interactions energy: -1920.742 where: short stacking energy: -795.791 Base-Backbone interact. energy: -0.779 local terms energy: -913.812964 where: bonds (distance) C4'-P energy: -168.795 bonds (distance) P-C4' energy: -180.026 flat angles C4'-P-C4' energy: -198.115 flat angles P-C4'-P energy: -131.827 tors. eta vs tors. theta energy: -235.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2602.769902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.769902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.769902 (E_RNA) where: Base-Base interactions energy: -1726.461 where: short stacking energy: -785.849 Base-Backbone interact. energy: -2.433 local terms energy: -873.875942 where: bonds (distance) C4'-P energy: -164.257 bonds (distance) P-C4' energy: -173.908 flat angles C4'-P-C4' energy: -207.500 flat angles P-C4'-P energy: -120.972 tors. eta vs tors. theta energy: -207.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2498.575055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.575055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.575055 (E_RNA) where: Base-Base interactions energy: -1654.493 where: short stacking energy: -745.849 Base-Backbone interact. energy: -0.642 local terms energy: -843.440018 where: bonds (distance) C4'-P energy: -173.634 bonds (distance) P-C4' energy: -156.762 flat angles C4'-P-C4' energy: -175.135 flat angles P-C4'-P energy: -125.156 tors. eta vs tors. theta energy: -212.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2315.264833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.264833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.264833 (E_RNA) where: Base-Base interactions energy: -1531.894 where: short stacking energy: -679.777 Base-Backbone interact. energy: 4.002 local terms energy: -787.372746 where: bonds (distance) C4'-P energy: -155.412 bonds (distance) P-C4' energy: -158.601 flat angles C4'-P-C4' energy: -174.040 flat angles P-C4'-P energy: -110.851 tors. eta vs tors. theta energy: -188.468 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: 200 Temperature: 1.150000 Total energy: -1934.477965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.477965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.477965 (E_RNA) where: Base-Base interactions energy: -1217.186 where: short stacking energy: -526.374 Base-Backbone interact. energy: 5.648 local terms energy: -722.939768 where: bonds (distance) C4'-P energy: -158.427 bonds (distance) P-C4' energy: -167.797 flat angles C4'-P-C4' energy: -158.156 flat angles P-C4'-P energy: -95.527 tors. eta vs tors. theta energy: -143.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1807.345204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.345204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.345204 (E_RNA) where: Base-Base interactions energy: -1143.724 where: short stacking energy: -509.297 Base-Backbone interact. energy: -6.928 local terms energy: -656.693179 where: bonds (distance) C4'-P energy: -155.689 bonds (distance) P-C4' energy: -156.755 flat angles C4'-P-C4' energy: -137.145 flat angles P-C4'-P energy: -90.429 tors. eta vs tors. theta energy: -116.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1223.633528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.633528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.633528 (E_RNA) where: Base-Base interactions energy: -676.107 where: short stacking energy: -329.423 Base-Backbone interact. energy: 2.599 local terms energy: -550.125153 where: bonds (distance) C4'-P energy: -139.060 bonds (distance) P-C4' energy: -169.954 flat angles C4'-P-C4' energy: -127.014 flat angles P-C4'-P energy: -105.912 tors. eta vs tors. theta energy: -8.185 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: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -915.201949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.201949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.201949 (E_RNA) where: Base-Base interactions energy: -391.312 where: short stacking energy: -224.594 Base-Backbone interact. energy: 0.533 local terms energy: -524.423105 where: bonds (distance) C4'-P energy: -137.071 bonds (distance) P-C4' energy: -179.570 flat angles C4'-P-C4' energy: -158.228 flat angles P-C4'-P energy: -63.745 tors. eta vs tors. theta energy: 14.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -708.437366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.437366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.437366 (E_RNA) where: Base-Base interactions energy: -302.375 where: short stacking energy: -195.535 Base-Backbone interact. energy: 0.526 local terms energy: -406.587723 where: bonds (distance) C4'-P energy: -144.256 bonds (distance) P-C4' energy: -142.668 flat angles C4'-P-C4' energy: -106.717 flat angles P-C4'-P energy: -54.218 tors. eta vs tors. theta energy: 41.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2926.373290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.373290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.373290 (E_RNA) where: Base-Base interactions energy: -1979.270 where: short stacking energy: -833.438 Base-Backbone interact. energy: -4.022 local terms energy: -943.081444 where: bonds (distance) C4'-P energy: -194.828 bonds (distance) P-C4' energy: -182.154 flat angles C4'-P-C4' energy: -185.761 flat angles P-C4'-P energy: -127.392 tors. eta vs tors. theta energy: -252.946 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: 201 Temperature: 0.950000 Total energy: -2870.495137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.495137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.495137 (E_RNA) where: Base-Base interactions energy: -1933.066 where: short stacking energy: -789.267 Base-Backbone interact. energy: -5.200 local terms energy: -932.229282 where: bonds (distance) C4'-P energy: -183.531 bonds (distance) P-C4' energy: -175.152 flat angles C4'-P-C4' energy: -190.602 flat angles P-C4'-P energy: -142.890 tors. eta vs tors. theta energy: -240.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2593.784556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.784556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.784556 (E_RNA) where: Base-Base interactions energy: -1706.864 where: short stacking energy: -754.093 Base-Backbone interact. energy: -0.746 local terms energy: -886.174517 where: bonds (distance) C4'-P energy: -168.152 bonds (distance) P-C4' energy: -168.147 flat angles C4'-P-C4' energy: -194.658 flat angles P-C4'-P energy: -123.534 tors. eta vs tors. theta energy: -231.683 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: 4, replica: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2471.970849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.970849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.970849 (E_RNA) where: Base-Base interactions energy: -1634.482 where: short stacking energy: -685.880 Base-Backbone interact. energy: 2.205 local terms energy: -839.694490 where: bonds (distance) C4'-P energy: -163.988 bonds (distance) P-C4' energy: -166.246 flat angles C4'-P-C4' energy: -197.329 flat angles P-C4'-P energy: -117.559 tors. eta vs tors. theta energy: -194.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2190.371492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.371492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.371492 (E_RNA) where: Base-Base interactions energy: -1421.644 where: short stacking energy: -636.108 Base-Backbone interact. energy: 1.613 local terms energy: -770.340586 where: bonds (distance) C4'-P energy: -149.320 bonds (distance) P-C4' energy: -170.025 flat angles C4'-P-C4' energy: -170.491 flat angles P-C4'-P energy: -128.776 tors. eta vs tors. theta energy: -151.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1921.837768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.837768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.837768 (E_RNA) where: Base-Base interactions energy: -1199.303 where: short stacking energy: -515.776 Base-Backbone interact. energy: 3.995 local terms energy: -726.528794 where: bonds (distance) C4'-P energy: -159.300 bonds (distance) P-C4' energy: -180.583 flat angles C4'-P-C4' energy: -161.077 flat angles P-C4'-P energy: -103.302 tors. eta vs tors. theta energy: -122.267 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: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1912.113514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.113514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.113514 (E_RNA) where: Base-Base interactions energy: -1219.366 where: short stacking energy: -531.878 Base-Backbone interact. energy: 0.564 local terms energy: -693.312214 where: bonds (distance) C4'-P energy: -134.872 bonds (distance) P-C4' energy: -157.893 flat angles C4'-P-C4' energy: -162.470 flat angles P-C4'-P energy: -112.193 tors. eta vs tors. theta energy: -125.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1215.925207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.925207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.925207 (E_RNA) where: Base-Base interactions energy: -658.641 where: short stacking energy: -332.631 Base-Backbone interact. energy: -1.676 local terms energy: -555.608685 where: bonds (distance) C4'-P energy: -138.477 bonds (distance) P-C4' energy: -142.205 flat angles C4'-P-C4' energy: -153.659 flat angles P-C4'-P energy: -90.619 tors. eta vs tors. theta energy: -30.648 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: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -901.718574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.718574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.718574 (E_RNA) where: Base-Base interactions energy: -423.937 where: short stacking energy: -231.249 Base-Backbone interact. energy: -2.163 local terms energy: -475.618976 where: bonds (distance) C4'-P energy: -152.780 bonds (distance) P-C4' energy: -127.269 flat angles C4'-P-C4' energy: -139.637 flat angles P-C4'-P energy: -76.192 tors. eta vs tors. theta energy: 20.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -759.277585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.277585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.277585 (E_RNA) where: Base-Base interactions energy: -317.292 where: short stacking energy: -191.256 Base-Backbone interact. energy: -0.789 local terms energy: -441.196311 where: bonds (distance) C4'-P energy: -130.713 bonds (distance) P-C4' energy: -145.070 flat angles C4'-P-C4' energy: -113.924 flat angles P-C4'-P energy: -76.220 tors. eta vs tors. theta energy: 24.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2958.406960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.406960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.406960 (E_RNA) where: Base-Base interactions energy: -1990.202 where: short stacking energy: -857.223 Base-Backbone interact. energy: -2.542 local terms energy: -965.662978 where: bonds (distance) C4'-P energy: -197.147 bonds (distance) P-C4' energy: -164.689 flat angles C4'-P-C4' energy: -204.044 flat angles P-C4'-P energy: -135.132 tors. eta vs tors. theta energy: -264.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2884.887515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.887515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.887515 (E_RNA) where: Base-Base interactions energy: -1971.411 where: short stacking energy: -849.553 Base-Backbone interact. energy: -3.310 local terms energy: -910.166622 where: bonds (distance) C4'-P energy: -179.360 bonds (distance) P-C4' energy: -164.350 flat angles C4'-P-C4' energy: -205.876 flat angles P-C4'-P energy: -125.696 tors. eta vs tors. theta energy: -234.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2592.609996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.609996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.609996 (E_RNA) where: Base-Base interactions energy: -1711.913 where: short stacking energy: -729.649 Base-Backbone interact. energy: 1.398 local terms energy: -882.095240 where: bonds (distance) C4'-P energy: -169.737 bonds (distance) P-C4' energy: -179.187 flat angles C4'-P-C4' energy: -191.732 flat angles P-C4'-P energy: -123.488 tors. eta vs tors. theta energy: -217.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2461.098336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.098336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.098336 (E_RNA) where: Base-Base interactions energy: -1664.130 where: short stacking energy: -694.122 Base-Backbone interact. energy: -1.919 local terms energy: -795.048528 where: bonds (distance) C4'-P energy: -146.207 bonds (distance) P-C4' energy: -147.743 flat angles C4'-P-C4' energy: -184.263 flat angles P-C4'-P energy: -123.206 tors. eta vs tors. theta energy: -193.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2237.061607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.061607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.061607 (E_RNA) where: Base-Base interactions energy: -1434.599 where: short stacking energy: -644.659 Base-Backbone interact. energy: -5.573 local terms energy: -796.889109 where: bonds (distance) C4'-P energy: -166.411 bonds (distance) P-C4' energy: -170.897 flat angles C4'-P-C4' energy: -181.121 flat angles P-C4'-P energy: -114.753 tors. eta vs tors. theta energy: -163.706 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: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1946.477744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.477744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.477744 (E_RNA) where: Base-Base interactions energy: -1240.741 where: short stacking energy: -524.036 Base-Backbone interact. energy: -0.173 local terms energy: -705.564176 where: bonds (distance) C4'-P energy: -161.047 bonds (distance) P-C4' energy: -174.704 flat angles C4'-P-C4' energy: -159.280 flat angles P-C4'-P energy: -101.207 tors. eta vs tors. theta energy: -109.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1916.001467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.001467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.001467 (E_RNA) where: Base-Base interactions energy: -1220.010 where: short stacking energy: -560.587 Base-Backbone interact. energy: -1.330 local terms energy: -694.662074 where: bonds (distance) C4'-P energy: -154.631 bonds (distance) P-C4' energy: -157.831 flat angles C4'-P-C4' energy: -158.316 flat angles P-C4'-P energy: -99.587 tors. eta vs tors. theta energy: -124.297 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: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1211.503204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.503204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.503204 (E_RNA) where: Base-Base interactions energy: -682.014 where: short stacking energy: -348.006 Base-Backbone interact. energy: 1.128 local terms energy: -530.617922 where: bonds (distance) C4'-P energy: -151.092 bonds (distance) P-C4' energy: -138.472 flat angles C4'-P-C4' energy: -142.819 flat angles P-C4'-P energy: -81.656 tors. eta vs tors. theta energy: -16.579 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: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -921.696132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.696132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.696132 (E_RNA) where: Base-Base interactions energy: -426.583 where: short stacking energy: -253.848 Base-Backbone interact. energy: 1.635 local terms energy: -496.748225 where: bonds (distance) C4'-P energy: -137.587 bonds (distance) P-C4' energy: -156.594 flat angles C4'-P-C4' energy: -146.219 flat angles P-C4'-P energy: -55.869 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -782.493356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.493356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.493356 (E_RNA) where: Base-Base interactions energy: -322.769 where: short stacking energy: -219.330 Base-Backbone interact. energy: -0.206 local terms energy: -459.518310 where: bonds (distance) C4'-P energy: -148.918 bonds (distance) P-C4' energy: -119.106 flat angles C4'-P-C4' energy: -144.904 flat angles P-C4'-P energy: -63.346 tors. eta vs tors. theta energy: 16.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2971.933503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.933503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.933503 (E_RNA) where: Base-Base interactions energy: -2004.644 where: short stacking energy: -831.497 Base-Backbone interact. energy: -7.510 local terms energy: -959.778651 where: bonds (distance) C4'-P energy: -184.850 bonds (distance) P-C4' energy: -173.360 flat angles C4'-P-C4' energy: -208.362 flat angles P-C4'-P energy: -138.727 tors. eta vs tors. theta energy: -254.480 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: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2867.821349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.821349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.821349 (E_RNA) where: Base-Base interactions energy: -1950.827 where: short stacking energy: -818.749 Base-Backbone interact. energy: -6.331 local terms energy: -910.663063 where: bonds (distance) C4'-P energy: -163.473 bonds (distance) P-C4' energy: -189.513 flat angles C4'-P-C4' energy: -194.695 flat angles P-C4'-P energy: -132.797 tors. eta vs tors. theta energy: -230.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2619.891115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.891115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.891115 (E_RNA) where: Base-Base interactions energy: -1737.629 where: short stacking energy: -751.136 Base-Backbone interact. energy: -3.676 local terms energy: -878.586623 where: bonds (distance) C4'-P energy: -161.104 bonds (distance) P-C4' energy: -187.941 flat angles C4'-P-C4' energy: -196.548 flat angles P-C4'-P energy: -110.461 tors. eta vs tors. theta energy: -222.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2529.916996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.916996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.916996 (E_RNA) where: Base-Base interactions energy: -1685.946 where: short stacking energy: -723.342 Base-Backbone interact. energy: -2.781 local terms energy: -841.190462 where: bonds (distance) C4'-P energy: -172.516 bonds (distance) P-C4' energy: -165.750 flat angles C4'-P-C4' energy: -179.685 flat angles P-C4'-P energy: -113.126 tors. eta vs tors. theta energy: -210.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2380.914435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.914435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.914435 (E_RNA) where: Base-Base interactions energy: -1597.733 where: short stacking energy: -688.530 Base-Backbone interact. energy: -0.484 local terms energy: -782.697992 where: bonds (distance) C4'-P energy: -150.257 bonds (distance) P-C4' energy: -168.928 flat angles C4'-P-C4' energy: -164.753 flat angles P-C4'-P energy: -121.684 tors. eta vs tors. theta energy: -177.076 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: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1995.738112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.738112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.738112 (E_RNA) where: Base-Base interactions energy: -1262.667 where: short stacking energy: -548.033 Base-Backbone interact. energy: -3.071 local terms energy: -729.999325 where: bonds (distance) C4'-P energy: -159.290 bonds (distance) P-C4' energy: -162.446 flat angles C4'-P-C4' energy: -170.869 flat angles P-C4'-P energy: -103.203 tors. eta vs tors. theta energy: -134.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1885.879510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.879510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.879510 (E_RNA) where: Base-Base interactions energy: -1213.802 where: short stacking energy: -495.953 Base-Backbone interact. energy: 1.455 local terms energy: -673.532706 where: bonds (distance) C4'-P energy: -132.484 bonds (distance) P-C4' energy: -175.318 flat angles C4'-P-C4' energy: -164.140 flat angles P-C4'-P energy: -107.228 tors. eta vs tors. theta energy: -94.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1208.104194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.104194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.104194 (E_RNA) where: Base-Base interactions energy: -644.011 where: short stacking energy: -315.268 Base-Backbone interact. energy: -0.015 local terms energy: -564.078377 where: bonds (distance) C4'-P energy: -164.021 bonds (distance) P-C4' energy: -169.479 flat angles C4'-P-C4' energy: -126.465 flat angles P-C4'-P energy: -81.768 tors. eta vs tors. theta energy: -22.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -859.186585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.186585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.186585 (E_RNA) where: Base-Base interactions energy: -386.537 where: short stacking energy: -222.415 Base-Backbone interact. energy: -0.198 local terms energy: -472.451915 where: bonds (distance) C4'-P energy: -128.686 bonds (distance) P-C4' energy: -161.958 flat angles C4'-P-C4' energy: -119.903 flat angles P-C4'-P energy: -78.954 tors. eta vs tors. theta energy: 17.049 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: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -827.254662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.254662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.254662 (E_RNA) where: Base-Base interactions energy: -356.071 where: short stacking energy: -216.521 Base-Backbone interact. energy: 4.541 local terms energy: -475.725398 where: bonds (distance) C4'-P energy: -151.473 bonds (distance) P-C4' energy: -147.929 flat angles C4'-P-C4' energy: -123.184 flat angles P-C4'-P energy: -60.423 tors. eta vs tors. theta energy: 7.284 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: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2951.699628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.699628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.699628 (E_RNA) where: Base-Base interactions energy: -1989.715 where: short stacking energy: -862.570 Base-Backbone interact. energy: -4.670 local terms energy: -957.313995 where: bonds (distance) C4'-P energy: -187.663 bonds (distance) P-C4' energy: -182.152 flat angles C4'-P-C4' energy: -196.894 flat angles P-C4'-P energy: -122.573 tors. eta vs tors. theta energy: -268.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2848.851547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.851547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.851547 (E_RNA) where: Base-Base interactions energy: -1929.148 where: short stacking energy: -809.236 Base-Backbone interact. energy: -3.088 local terms energy: -916.615675 where: bonds (distance) C4'-P energy: -157.021 bonds (distance) P-C4' energy: -177.955 flat angles C4'-P-C4' energy: -191.444 flat angles P-C4'-P energy: -138.055 tors. eta vs tors. theta energy: -252.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2586.226674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.226674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.226674 (E_RNA) where: Base-Base interactions energy: -1730.818 where: short stacking energy: -747.754 Base-Backbone interact. energy: -2.001 local terms energy: -853.408438 where: bonds (distance) C4'-P energy: -176.745 bonds (distance) P-C4' energy: -167.392 flat angles C4'-P-C4' energy: -170.116 flat angles P-C4'-P energy: -111.600 tors. eta vs tors. theta energy: -227.555 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: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2549.440944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.440944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.440944 (E_RNA) where: Base-Base interactions energy: -1705.035 where: short stacking energy: -717.026 Base-Backbone interact. energy: -2.201 local terms energy: -842.204209 where: bonds (distance) C4'-P energy: -161.930 bonds (distance) P-C4' energy: -173.509 flat angles C4'-P-C4' energy: -193.207 flat angles P-C4'-P energy: -112.139 tors. eta vs tors. theta energy: -201.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2351.729348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.729348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.729348 (E_RNA) where: Base-Base interactions energy: -1537.870 where: short stacking energy: -661.463 Base-Backbone interact. energy: 0.589 local terms energy: -814.448986 where: bonds (distance) C4'-P energy: -167.607 bonds (distance) P-C4' energy: -178.439 flat angles C4'-P-C4' energy: -172.614 flat angles P-C4'-P energy: -120.652 tors. eta vs tors. theta energy: -175.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1993.594239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.594239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.594239 (E_RNA) where: Base-Base interactions energy: -1301.399 where: short stacking energy: -582.951 Base-Backbone interact. energy: 2.485 local terms energy: -694.681048 where: bonds (distance) C4'-P energy: -157.455 bonds (distance) P-C4' energy: -162.670 flat angles C4'-P-C4' energy: -151.709 flat angles P-C4'-P energy: -98.449 tors. eta vs tors. theta energy: -124.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1867.462631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.462631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.462631 (E_RNA) where: Base-Base interactions energy: -1222.369 where: short stacking energy: -512.417 Base-Backbone interact. energy: -1.299 local terms energy: -643.794546 where: bonds (distance) C4'-P energy: -138.423 bonds (distance) P-C4' energy: -129.717 flat angles C4'-P-C4' energy: -175.693 flat angles P-C4'-P energy: -86.434 tors. eta vs tors. theta energy: -113.527 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: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1278.335806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.335806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.335806 (E_RNA) where: Base-Base interactions energy: -706.478 where: short stacking energy: -335.536 Base-Backbone interact. energy: -0.550 local terms energy: -571.307521 where: bonds (distance) C4'-P energy: -152.207 bonds (distance) P-C4' energy: -148.272 flat angles C4'-P-C4' energy: -140.773 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -40.048 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: 204 Temperature: 1.300000 Total energy: -854.092335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.092335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.092335 (E_RNA) where: Base-Base interactions energy: -384.850 where: short stacking energy: -227.863 Base-Backbone interact. energy: 1.792 local terms energy: -471.033582 where: bonds (distance) C4'-P energy: -143.167 bonds (distance) P-C4' energy: -146.018 flat angles C4'-P-C4' energy: -143.024 flat angles P-C4'-P energy: -68.714 tors. eta vs tors. theta energy: 29.889 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: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -743.635261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.635261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.635261 (E_RNA) where: Base-Base interactions energy: -299.949 where: short stacking energy: -205.422 Base-Backbone interact. energy: 2.736 local terms energy: -446.422932 where: bonds (distance) C4'-P energy: -130.077 bonds (distance) P-C4' energy: -141.350 flat angles C4'-P-C4' energy: -155.711 flat angles P-C4'-P energy: -42.127 tors. eta vs tors. theta energy: 22.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2912.449935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.449935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.449935 (E_RNA) where: Base-Base interactions energy: -1958.063 where: short stacking energy: -813.927 Base-Backbone interact. energy: -5.328 local terms energy: -949.058608 where: bonds (distance) C4'-P energy: -166.232 bonds (distance) P-C4' energy: -198.127 flat angles C4'-P-C4' energy: -214.218 flat angles P-C4'-P energy: -132.377 tors. eta vs tors. theta energy: -238.103 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: 205 Temperature: 0.950000 Total energy: -2849.093348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.093348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.093348 (E_RNA) where: Base-Base interactions energy: -1940.871 where: short stacking energy: -794.068 Base-Backbone interact. energy: -4.375 local terms energy: -903.847498 where: bonds (distance) C4'-P energy: -178.829 bonds (distance) P-C4' energy: -164.227 flat angles C4'-P-C4' energy: -200.178 flat angles P-C4'-P energy: -127.057 tors. eta vs tors. theta energy: -233.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2631.876726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.876726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.876726 (E_RNA) where: Base-Base interactions energy: -1732.384 where: short stacking energy: -771.958 Base-Backbone interact. energy: -5.403 local terms energy: -894.089724 where: bonds (distance) C4'-P energy: -167.916 bonds (distance) P-C4' energy: -161.303 flat angles C4'-P-C4' energy: -194.250 flat angles P-C4'-P energy: -141.658 tors. eta vs tors. theta energy: -228.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2523.774087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.774087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.774087 (E_RNA) where: Base-Base interactions energy: -1712.897 where: short stacking energy: -696.279 Base-Backbone interact. energy: 0.498 local terms energy: -811.374842 where: bonds (distance) C4'-P energy: -155.206 bonds (distance) P-C4' energy: -146.387 flat angles C4'-P-C4' energy: -184.253 flat angles P-C4'-P energy: -118.186 tors. eta vs tors. theta energy: -207.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2379.796959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.796959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.796959 (E_RNA) where: Base-Base interactions energy: -1569.861 where: short stacking energy: -656.512 Base-Backbone interact. energy: 1.593 local terms energy: -811.529640 where: bonds (distance) C4'-P energy: -173.151 bonds (distance) P-C4' energy: -151.794 flat angles C4'-P-C4' energy: -177.042 flat angles P-C4'-P energy: -117.180 tors. eta vs tors. theta energy: -192.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2035.330744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.330744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.330744 (E_RNA) where: Base-Base interactions energy: -1301.986 where: short stacking energy: -546.909 Base-Backbone interact. energy: -2.706 local terms energy: -730.638091 where: bonds (distance) C4'-P energy: -143.188 bonds (distance) P-C4' energy: -160.576 flat angles C4'-P-C4' energy: -171.586 flat angles P-C4'-P energy: -112.583 tors. eta vs tors. theta energy: -142.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1883.319049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.319049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.319049 (E_RNA) where: Base-Base interactions energy: -1196.072 where: short stacking energy: -512.204 Base-Backbone interact. energy: -0.328 local terms energy: -686.918952 where: bonds (distance) C4'-P energy: -152.067 bonds (distance) P-C4' energy: -162.496 flat angles C4'-P-C4' energy: -156.380 flat angles P-C4'-P energy: -86.416 tors. eta vs tors. theta energy: -129.560 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: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1221.764434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.764434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.764434 (E_RNA) where: Base-Base interactions energy: -659.797 where: short stacking energy: -331.753 Base-Backbone interact. energy: 1.162 local terms energy: -563.128987 where: bonds (distance) C4'-P energy: -143.658 bonds (distance) P-C4' energy: -157.145 flat angles C4'-P-C4' energy: -157.892 flat angles P-C4'-P energy: -82.478 tors. eta vs tors. theta energy: -21.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -904.233537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.233537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.233537 (E_RNA) where: Base-Base interactions energy: -424.899 where: short stacking energy: -241.757 Base-Backbone interact. energy: -3.149 local terms energy: -476.186261 where: bonds (distance) C4'-P energy: -152.000 bonds (distance) P-C4' energy: -141.292 flat angles C4'-P-C4' energy: -105.091 flat angles P-C4'-P energy: -86.830 tors. eta vs tors. theta energy: 9.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -762.261298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.261298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.261298 (E_RNA) where: Base-Base interactions energy: -306.660 where: short stacking energy: -192.286 Base-Backbone interact. energy: -1.812 local terms energy: -453.789667 where: bonds (distance) C4'-P energy: -150.692 bonds (distance) P-C4' energy: -168.241 flat angles C4'-P-C4' energy: -106.900 flat angles P-C4'-P energy: -66.664 tors. eta vs tors. theta energy: 38.707 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: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2944.306250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.306250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.306250 (E_RNA) where: Base-Base interactions energy: -1946.812 where: short stacking energy: -833.622 Base-Backbone interact. energy: -6.150 local terms energy: -991.344641 where: bonds (distance) C4'-P energy: -183.957 bonds (distance) P-C4' energy: -193.341 flat angles C4'-P-C4' energy: -212.864 flat angles P-C4'-P energy: -153.531 tors. eta vs tors. theta energy: -247.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2851.685722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.685722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.685722 (E_RNA) where: Base-Base interactions energy: -1904.433 where: short stacking energy: -831.131 Base-Backbone interact. energy: 0.677 local terms energy: -947.929925 where: bonds (distance) C4'-P energy: -160.866 bonds (distance) P-C4' energy: -179.802 flat angles C4'-P-C4' energy: -201.909 flat angles P-C4'-P energy: -154.419 tors. eta vs tors. theta energy: -250.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2669.899551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.899551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.899551 (E_RNA) where: Base-Base interactions energy: -1785.477 where: short stacking energy: -774.702 Base-Backbone interact. energy: -1.547 local terms energy: -882.875980 where: bonds (distance) C4'-P energy: -167.843 bonds (distance) P-C4' energy: -165.942 flat angles C4'-P-C4' energy: -215.548 flat angles P-C4'-P energy: -117.837 tors. eta vs tors. theta energy: -215.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2538.408122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.408122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.408122 (E_RNA) where: Base-Base interactions energy: -1714.355 where: short stacking energy: -721.684 Base-Backbone interact. energy: 0.303 local terms energy: -824.356379 where: bonds (distance) C4'-P energy: -148.146 bonds (distance) P-C4' energy: -181.793 flat angles C4'-P-C4' energy: -191.704 flat angles P-C4'-P energy: -93.967 tors. eta vs tors. theta energy: -208.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2344.769074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.769074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.769074 (E_RNA) where: Base-Base interactions energy: -1571.162 where: short stacking energy: -696.859 Base-Backbone interact. energy: 0.472 local terms energy: -774.078838 where: bonds (distance) C4'-P energy: -144.666 bonds (distance) P-C4' energy: -160.338 flat angles C4'-P-C4' energy: -171.034 flat angles P-C4'-P energy: -99.215 tors. eta vs tors. theta energy: -198.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2057.413507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.413507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.413507 (E_RNA) where: Base-Base interactions energy: -1284.802 where: short stacking energy: -549.808 Base-Backbone interact. energy: -3.242 local terms energy: -769.369518 where: bonds (distance) C4'-P energy: -160.983 bonds (distance) P-C4' energy: -155.085 flat angles C4'-P-C4' energy: -198.551 flat angles P-C4'-P energy: -108.013 tors. eta vs tors. theta energy: -146.737 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: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1834.509989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.509989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.509989 (E_RNA) where: Base-Base interactions energy: -1168.377 where: short stacking energy: -515.167 Base-Backbone interact. energy: 0.722 local terms energy: -666.855063 where: bonds (distance) C4'-P energy: -144.620 bonds (distance) P-C4' energy: -158.375 flat angles C4'-P-C4' energy: -170.218 flat angles P-C4'-P energy: -97.552 tors. eta vs tors. theta energy: -96.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1226.862311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.862311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.862311 (E_RNA) where: Base-Base interactions energy: -660.507 where: short stacking energy: -340.941 Base-Backbone interact. energy: 5.955 local terms energy: -572.310034 where: bonds (distance) C4'-P energy: -143.558 bonds (distance) P-C4' energy: -159.637 flat angles C4'-P-C4' energy: -146.859 flat angles P-C4'-P energy: -84.359 tors. eta vs tors. theta energy: -37.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -934.319179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.319179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.319179 (E_RNA) where: Base-Base interactions energy: -439.173 where: short stacking energy: -237.886 Base-Backbone interact. energy: 7.640 local terms energy: -502.786702 where: bonds (distance) C4'-P energy: -133.820 bonds (distance) P-C4' energy: -148.904 flat angles C4'-P-C4' energy: -148.300 flat angles P-C4'-P energy: -90.663 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: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -745.360672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.360672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.360672 (E_RNA) where: Base-Base interactions energy: -281.079 where: short stacking energy: -187.076 Base-Backbone interact. energy: -1.970 local terms energy: -462.311124 where: bonds (distance) C4'-P energy: -161.400 bonds (distance) P-C4' energy: -135.393 flat angles C4'-P-C4' energy: -144.471 flat angles P-C4'-P energy: -57.884 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: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2915.676829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.676829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.676829 (E_RNA) where: Base-Base interactions energy: -1955.962 where: short stacking energy: -840.850 Base-Backbone interact. energy: 0.651 local terms energy: -960.366135 where: bonds (distance) C4'-P energy: -190.164 bonds (distance) P-C4' energy: -191.849 flat angles C4'-P-C4' energy: -193.776 flat angles P-C4'-P energy: -132.818 tors. eta vs tors. theta energy: -251.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2832.977106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.977106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.977106 (E_RNA) where: Base-Base interactions energy: -1896.847 where: short stacking energy: -815.810 Base-Backbone interact. energy: -2.476 local terms energy: -933.654350 where: bonds (distance) C4'-P energy: -192.270 bonds (distance) P-C4' energy: -172.812 flat angles C4'-P-C4' energy: -199.967 flat angles P-C4'-P energy: -129.522 tors. eta vs tors. theta energy: -239.082 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: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2674.721822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.721822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.721822 (E_RNA) where: Base-Base interactions energy: -1770.760 where: short stacking energy: -779.700 Base-Backbone interact. energy: -5.154 local terms energy: -898.807611 where: bonds (distance) C4'-P energy: -157.691 bonds (distance) P-C4' energy: -160.327 flat angles C4'-P-C4' energy: -204.903 flat angles P-C4'-P energy: -130.104 tors. eta vs tors. theta energy: -245.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2538.288280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.288280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.288280 (E_RNA) where: Base-Base interactions energy: -1663.243 where: short stacking energy: -710.531 Base-Backbone interact. energy: 2.994 local terms energy: -878.039997 where: bonds (distance) C4'-P energy: -162.645 bonds (distance) P-C4' energy: -185.587 flat angles C4'-P-C4' energy: -187.763 flat angles P-C4'-P energy: -125.392 tors. eta vs tors. theta energy: -216.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2330.586593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.586593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.586593 (E_RNA) where: Base-Base interactions energy: -1511.919 where: short stacking energy: -635.278 Base-Backbone interact. energy: -1.245 local terms energy: -817.422529 where: bonds (distance) C4'-P energy: -179.285 bonds (distance) P-C4' energy: -178.250 flat angles C4'-P-C4' energy: -184.917 flat angles P-C4'-P energy: -108.522 tors. eta vs tors. theta energy: -166.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2057.769922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.769922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.769922 (E_RNA) where: Base-Base interactions energy: -1275.584 where: short stacking energy: -549.034 Base-Backbone interact. energy: -2.927 local terms energy: -779.258722 where: bonds (distance) C4'-P energy: -161.328 bonds (distance) P-C4' energy: -166.611 flat angles C4'-P-C4' energy: -184.882 flat angles P-C4'-P energy: -113.435 tors. eta vs tors. theta energy: -153.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1880.725590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.725590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.725590 (E_RNA) where: Base-Base interactions energy: -1177.663 where: short stacking energy: -542.770 Base-Backbone interact. energy: -4.540 local terms energy: -698.522165 where: bonds (distance) C4'-P energy: -148.833 bonds (distance) P-C4' energy: -149.306 flat angles C4'-P-C4' energy: -158.815 flat angles P-C4'-P energy: -110.678 tors. eta vs tors. theta energy: -130.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1206.785414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.785414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.785414 (E_RNA) where: Base-Base interactions energy: -626.430 where: short stacking energy: -322.058 Base-Backbone interact. energy: -0.112 local terms energy: -580.243538 where: bonds (distance) C4'-P energy: -151.308 bonds (distance) P-C4' energy: -155.886 flat angles C4'-P-C4' energy: -152.325 flat angles P-C4'-P energy: -91.206 tors. eta vs tors. theta energy: -29.518 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: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -923.645234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.645234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.645234 (E_RNA) where: Base-Base interactions energy: -436.531 where: short stacking energy: -256.127 Base-Backbone interact. energy: 4.409 local terms energy: -491.523519 where: bonds (distance) C4'-P energy: -146.351 bonds (distance) P-C4' energy: -156.180 flat angles C4'-P-C4' energy: -94.913 flat angles P-C4'-P energy: -90.413 tors. eta vs tors. theta energy: -3.666 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: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -730.792910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.792910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.792910 (E_RNA) where: Base-Base interactions energy: -299.543 where: short stacking energy: -179.484 Base-Backbone interact. energy: 2.221 local terms energy: -433.470872 where: bonds (distance) C4'-P energy: -116.702 bonds (distance) P-C4' energy: -158.974 flat angles C4'-P-C4' energy: -126.857 flat angles P-C4'-P energy: -69.198 tors. eta vs tors. theta energy: 38.260 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: 9 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2909.119470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.119470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.119470 (E_RNA) where: Base-Base interactions energy: -1957.021 where: short stacking energy: -852.539 Base-Backbone interact. energy: -2.418 local terms energy: -949.680414 where: bonds (distance) C4'-P energy: -168.750 bonds (distance) P-C4' energy: -174.743 flat angles C4'-P-C4' energy: -205.395 flat angles P-C4'-P energy: -145.028 tors. eta vs tors. theta energy: -255.764 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: 6 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2800.713744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.713744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.713744 (E_RNA) where: Base-Base interactions energy: -1868.687 where: short stacking energy: -776.988 Base-Backbone interact. energy: 0.978 local terms energy: -933.003760 where: bonds (distance) C4'-P energy: -171.653 bonds (distance) P-C4' energy: -179.169 flat angles C4'-P-C4' energy: -206.867 flat angles P-C4'-P energy: -127.388 tors. eta vs tors. theta energy: -247.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2669.601547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.601547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.601547 (E_RNA) where: Base-Base interactions energy: -1752.672 where: short stacking energy: -774.454 Base-Backbone interact. energy: -0.849 local terms energy: -916.079890 where: bonds (distance) C4'-P energy: -157.693 bonds (distance) P-C4' energy: -195.498 flat angles C4'-P-C4' energy: -203.912 flat angles P-C4'-P energy: -118.948 tors. eta vs tors. theta energy: -240.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2529.898288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.898288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.898288 (E_RNA) where: Base-Base interactions energy: -1682.728 where: short stacking energy: -721.325 Base-Backbone interact. energy: 1.245 local terms energy: -848.415130 where: bonds (distance) C4'-P energy: -164.673 bonds (distance) P-C4' energy: -173.403 flat angles C4'-P-C4' energy: -182.449 flat angles P-C4'-P energy: -115.424 tors. eta vs tors. theta energy: -212.466 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: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2346.001818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.001818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.001818 (E_RNA) where: Base-Base interactions energy: -1504.542 where: short stacking energy: -657.101 Base-Backbone interact. energy: -2.560 local terms energy: -838.900219 where: bonds (distance) C4'-P energy: -173.745 bonds (distance) P-C4' energy: -178.473 flat angles C4'-P-C4' energy: -191.156 flat angles P-C4'-P energy: -118.594 tors. eta vs tors. theta energy: -176.932 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: 10 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2012.296488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.296488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.296488 (E_RNA) where: Base-Base interactions energy: -1310.826 where: short stacking energy: -570.259 Base-Backbone interact. energy: -0.761 local terms energy: -700.709752 where: bonds (distance) C4'-P energy: -160.659 bonds (distance) P-C4' energy: -150.648 flat angles C4'-P-C4' energy: -146.998 flat angles P-C4'-P energy: -108.236 tors. eta vs tors. theta energy: -134.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1821.706442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.706442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.706442 (E_RNA) where: Base-Base interactions energy: -1110.866 where: short stacking energy: -507.924 Base-Backbone interact. energy: -0.286 local terms energy: -710.554153 where: bonds (distance) C4'-P energy: -163.558 bonds (distance) P-C4' energy: -160.249 flat angles C4'-P-C4' energy: -174.706 flat angles P-C4'-P energy: -98.907 tors. eta vs tors. theta energy: -113.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1165.458382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.458382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.458382 (E_RNA) where: Base-Base interactions energy: -622.516 where: short stacking energy: -322.486 Base-Backbone interact. energy: -7.428 local terms energy: -535.514586 where: bonds (distance) C4'-P energy: -134.737 bonds (distance) P-C4' energy: -164.153 flat angles C4'-P-C4' energy: -141.389 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -13.866 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: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -975.893526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.893526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.893526 (E_RNA) where: Base-Base interactions energy: -453.886 where: short stacking energy: -262.709 Base-Backbone interact. energy: 4.432 local terms energy: -526.438990 where: bonds (distance) C4'-P energy: -151.317 bonds (distance) P-C4' energy: -149.196 flat angles C4'-P-C4' energy: -149.912 flat angles P-C4'-P energy: -67.363 tors. eta vs tors. theta energy: -8.650 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: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -760.888830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.888830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.888830 (E_RNA) where: Base-Base interactions energy: -304.159 where: short stacking energy: -192.652 Base-Backbone interact. energy: -3.008 local terms energy: -453.722302 where: bonds (distance) C4'-P energy: -131.595 bonds (distance) P-C4' energy: -133.055 flat angles C4'-P-C4' energy: -139.991 flat angles P-C4'-P energy: -73.835 tors. eta vs tors. theta energy: 24.754 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: 9 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2925.217802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.217802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.217802 (E_RNA) where: Base-Base interactions energy: -1973.205 where: short stacking energy: -868.888 Base-Backbone interact. energy: -5.995 local terms energy: -946.018500 where: bonds (distance) C4'-P energy: -174.971 bonds (distance) P-C4' energy: -180.350 flat angles C4'-P-C4' energy: -202.440 flat angles P-C4'-P energy: -138.674 tors. eta vs tors. theta energy: -249.584 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: 6 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2746.139642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.139642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.139642 (E_RNA) where: Base-Base interactions energy: -1834.083 where: short stacking energy: -773.086 Base-Backbone interact. energy: -6.195 local terms energy: -905.862157 where: bonds (distance) C4'-P energy: -170.376 bonds (distance) P-C4' energy: -181.009 flat angles C4'-P-C4' energy: -201.608 flat angles P-C4'-P energy: -125.178 tors. eta vs tors. theta energy: -227.692 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: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2616.736585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.736585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.736585 (E_RNA) where: Base-Base interactions energy: -1702.000 where: short stacking energy: -752.068 Base-Backbone interact. energy: -3.422 local terms energy: -911.315195 where: bonds (distance) C4'-P energy: -164.384 bonds (distance) P-C4' energy: -203.299 flat angles C4'-P-C4' energy: -199.712 flat angles P-C4'-P energy: -116.313 tors. eta vs tors. theta energy: -227.607 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: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2581.698734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.698734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.698734 (E_RNA) where: Base-Base interactions energy: -1710.894 where: short stacking energy: -752.538 Base-Backbone interact. energy: 2.550 local terms energy: -873.354768 where: bonds (distance) C4'-P energy: -178.206 bonds (distance) P-C4' energy: -177.193 flat angles C4'-P-C4' energy: -180.992 flat angles P-C4'-P energy: -111.551 tors. eta vs tors. theta energy: -225.413 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: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2299.005235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.005235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.005235 (E_RNA) where: Base-Base interactions energy: -1490.855 where: short stacking energy: -611.170 Base-Backbone interact. energy: -4.069 local terms energy: -804.081616 where: bonds (distance) C4'-P energy: -160.895 bonds (distance) P-C4' energy: -160.162 flat angles C4'-P-C4' energy: -185.556 flat angles P-C4'-P energy: -125.145 tors. eta vs tors. theta energy: -172.324 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: 10 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2036.289445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.289445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.289445 (E_RNA) where: Base-Base interactions energy: -1301.067 where: short stacking energy: -553.670 Base-Backbone interact. energy: -2.349 local terms energy: -732.872846 where: bonds (distance) C4'-P energy: -170.022 bonds (distance) P-C4' energy: -179.707 flat angles C4'-P-C4' energy: -163.025 flat angles P-C4'-P energy: -82.102 tors. eta vs tors. theta energy: -138.016 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: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1799.061606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.061606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.061606 (E_RNA) where: Base-Base interactions energy: -1136.479 where: short stacking energy: -459.608 Base-Backbone interact. energy: -1.961 local terms energy: -660.621597 where: bonds (distance) C4'-P energy: -153.007 bonds (distance) P-C4' energy: -150.262 flat angles C4'-P-C4' energy: -169.332 flat angles P-C4'-P energy: -88.800 tors. eta vs tors. theta energy: -99.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1228.261126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.261126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.261126 (E_RNA) where: Base-Base interactions energy: -648.938 where: short stacking energy: -300.316 Base-Backbone interact. energy: -1.808 local terms energy: -577.514464 where: bonds (distance) C4'-P energy: -153.140 bonds (distance) P-C4' energy: -166.114 flat angles C4'-P-C4' energy: -126.770 flat angles P-C4'-P energy: -95.675 tors. eta vs tors. theta energy: -35.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -908.510022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.510022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.510022 (E_RNA) where: Base-Base interactions energy: -417.506 where: short stacking energy: -245.269 Base-Backbone interact. energy: -2.559 local terms energy: -488.445671 where: bonds (distance) C4'-P energy: -153.508 bonds (distance) P-C4' energy: -164.873 flat angles C4'-P-C4' energy: -129.042 flat angles P-C4'-P energy: -63.807 tors. eta vs tors. theta energy: 22.784 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: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -823.072300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.072300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.072300 (E_RNA) where: Base-Base interactions energy: -333.416 where: short stacking energy: -204.037 Base-Backbone interact. energy: 6.054 local terms energy: -495.709733 where: bonds (distance) C4'-P energy: -131.396 bonds (distance) P-C4' energy: -158.085 flat angles C4'-P-C4' energy: -149.093 flat angles P-C4'-P energy: -89.164 tors. eta vs tors. theta energy: 32.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2925.266076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.266076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.266076 (E_RNA) where: Base-Base interactions energy: -1959.770 where: short stacking energy: -848.232 Base-Backbone interact. energy: -4.220 local terms energy: -961.275641 where: bonds (distance) C4'-P energy: -176.022 bonds (distance) P-C4' energy: -187.286 flat angles C4'-P-C4' energy: -201.990 flat angles P-C4'-P energy: -135.989 tors. eta vs tors. theta energy: -259.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2756.470449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.470449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.470449 (E_RNA) where: Base-Base interactions energy: -1842.609 where: short stacking energy: -768.002 Base-Backbone interact. energy: -3.896 local terms energy: -909.965496 where: bonds (distance) C4'-P energy: -179.342 bonds (distance) P-C4' energy: -171.330 flat angles C4'-P-C4' energy: -206.045 flat angles P-C4'-P energy: -142.842 tors. eta vs tors. theta energy: -210.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2624.454373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.454373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.454373 (E_RNA) where: Base-Base interactions energy: -1736.501 where: short stacking energy: -737.890 Base-Backbone interact. energy: -1.085 local terms energy: -886.868800 where: bonds (distance) C4'-P energy: -176.093 bonds (distance) P-C4' energy: -168.559 flat angles C4'-P-C4' energy: -181.854 flat angles P-C4'-P energy: -129.689 tors. eta vs tors. theta energy: -230.674 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: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2552.501846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.501846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.501846 (E_RNA) where: Base-Base interactions energy: -1672.897 where: short stacking energy: -724.343 Base-Backbone interact. energy: 0.305 local terms energy: -879.909873 where: bonds (distance) C4'-P energy: -161.544 bonds (distance) P-C4' energy: -174.746 flat angles C4'-P-C4' energy: -200.256 flat angles P-C4'-P energy: -111.556 tors. eta vs tors. theta energy: -231.808 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: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2251.118435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.118435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.118435 (E_RNA) where: Base-Base interactions energy: -1487.164 where: short stacking energy: -648.110 Base-Backbone interact. energy: 1.327 local terms energy: -765.281007 where: bonds (distance) C4'-P energy: -163.778 bonds (distance) P-C4' energy: -169.089 flat angles C4'-P-C4' energy: -169.465 flat angles P-C4'-P energy: -99.007 tors. eta vs tors. theta energy: -163.942 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: 210 Temperature: 1.150000 Total energy: -2027.303215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.303215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.303215 (E_RNA) where: Base-Base interactions energy: -1301.514 where: short stacking energy: -584.456 Base-Backbone interact. energy: -3.299 local terms energy: -722.490261 where: bonds (distance) C4'-P energy: -147.699 bonds (distance) P-C4' energy: -179.437 flat angles C4'-P-C4' energy: -149.294 flat angles P-C4'-P energy: -99.124 tors. eta vs tors. theta energy: -146.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1973.875339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.875339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.875339 (E_RNA) where: Base-Base interactions energy: -1299.071 where: short stacking energy: -560.755 Base-Backbone interact. energy: 3.447 local terms energy: -678.251467 where: bonds (distance) C4'-P energy: -147.779 bonds (distance) P-C4' energy: -155.135 flat angles C4'-P-C4' energy: -161.453 flat angles P-C4'-P energy: -86.839 tors. eta vs tors. theta energy: -127.045 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: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1249.492010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.492010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.492010 (E_RNA) where: Base-Base interactions energy: -674.244 where: short stacking energy: -322.115 Base-Backbone interact. energy: -0.602 local terms energy: -574.645548 where: bonds (distance) C4'-P energy: -141.801 bonds (distance) P-C4' energy: -165.236 flat angles C4'-P-C4' energy: -140.033 flat angles P-C4'-P energy: -96.002 tors. eta vs tors. theta energy: -31.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -874.352030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.352030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.352030 (E_RNA) where: Base-Base interactions energy: -381.276 where: short stacking energy: -196.662 Base-Backbone interact. energy: 0.953 local terms energy: -494.028584 where: bonds (distance) C4'-P energy: -158.576 bonds (distance) P-C4' energy: -174.952 flat angles C4'-P-C4' energy: -125.368 flat angles P-C4'-P energy: -68.744 tors. eta vs tors. theta energy: 33.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -724.926803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.926803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.926803 (E_RNA) where: Base-Base interactions energy: -274.422 where: short stacking energy: -190.018 Base-Backbone interact. energy: 1.640 local terms energy: -452.145071 where: bonds (distance) C4'-P energy: -128.779 bonds (distance) P-C4' energy: -155.466 flat angles C4'-P-C4' energy: -129.093 flat angles P-C4'-P energy: -74.606 tors. eta vs tors. theta energy: 35.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2946.652677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.652677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.652677 (E_RNA) where: Base-Base interactions energy: -1993.923 where: short stacking energy: -880.668 Base-Backbone interact. energy: -0.278 local terms energy: -952.451647 where: bonds (distance) C4'-P energy: -182.142 bonds (distance) P-C4' energy: -177.031 flat angles C4'-P-C4' energy: -208.848 flat angles P-C4'-P energy: -129.816 tors. eta vs tors. theta energy: -254.615 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: 6 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2746.400558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.400558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.400558 (E_RNA) where: Base-Base interactions energy: -1835.236 where: short stacking energy: -789.814 Base-Backbone interact. energy: -5.089 local terms energy: -906.074857 where: bonds (distance) C4'-P energy: -188.200 bonds (distance) P-C4' energy: -170.671 flat angles C4'-P-C4' energy: -188.522 flat angles P-C4'-P energy: -132.945 tors. eta vs tors. theta energy: -225.738 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: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2623.689456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.689456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.689456 (E_RNA) where: Base-Base interactions energy: -1725.754 where: short stacking energy: -750.629 Base-Backbone interact. energy: -3.527 local terms energy: -894.407746 where: bonds (distance) C4'-P energy: -180.670 bonds (distance) P-C4' energy: -189.096 flat angles C4'-P-C4' energy: -185.681 flat angles P-C4'-P energy: -121.565 tors. eta vs tors. theta energy: -217.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2566.415693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.415693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.415693 (E_RNA) where: Base-Base interactions energy: -1748.071 where: short stacking energy: -717.857 Base-Backbone interact. energy: 0.664 local terms energy: -819.008497 where: bonds (distance) C4'-P energy: -148.059 bonds (distance) P-C4' energy: -176.035 flat angles C4'-P-C4' energy: -173.432 flat angles P-C4'-P energy: -118.849 tors. eta vs tors. theta energy: -202.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2323.408029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.408029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.408029 (E_RNA) where: Base-Base interactions energy: -1536.319 where: short stacking energy: -673.095 Base-Backbone interact. energy: -1.348 local terms energy: -785.741707 where: bonds (distance) C4'-P energy: -151.355 bonds (distance) P-C4' energy: -144.675 flat angles C4'-P-C4' energy: -184.599 flat angles P-C4'-P energy: -130.667 tors. eta vs tors. theta energy: -174.445 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: 6, replica: 10 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2002.091295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.091295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.091295 (E_RNA) where: Base-Base interactions energy: -1288.661 where: short stacking energy: -529.714 Base-Backbone interact. energy: -4.497 local terms energy: -708.933494 where: bonds (distance) C4'-P energy: -152.966 bonds (distance) P-C4' energy: -160.232 flat angles C4'-P-C4' energy: -169.224 flat angles P-C4'-P energy: -108.533 tors. eta vs tors. theta energy: -117.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1854.027271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.027271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.027271 (E_RNA) where: Base-Base interactions energy: -1197.531 where: short stacking energy: -527.701 Base-Backbone interact. energy: -5.655 local terms energy: -650.841320 where: bonds (distance) C4'-P energy: -137.633 bonds (distance) P-C4' energy: -154.059 flat angles C4'-P-C4' energy: -138.203 flat angles P-C4'-P energy: -102.928 tors. eta vs tors. theta energy: -118.019 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: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1146.704895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.704895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.704895 (E_RNA) where: Base-Base interactions energy: -587.605 where: short stacking energy: -303.042 Base-Backbone interact. energy: 3.171 local terms energy: -562.270560 where: bonds (distance) C4'-P energy: -141.114 bonds (distance) P-C4' energy: -168.921 flat angles C4'-P-C4' energy: -150.346 flat angles P-C4'-P energy: -87.892 tors. eta vs tors. theta energy: -13.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -894.196197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.196197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.196197 (E_RNA) where: Base-Base interactions energy: -401.328 where: short stacking energy: -231.125 Base-Backbone interact. energy: -3.840 local terms energy: -489.028999 where: bonds (distance) C4'-P energy: -136.510 bonds (distance) P-C4' energy: -149.987 flat angles C4'-P-C4' energy: -126.035 flat angles P-C4'-P energy: -91.749 tors. eta vs tors. theta energy: 15.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -756.221111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.221111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.221111 (E_RNA) where: Base-Base interactions energy: -299.569 where: short stacking energy: -181.121 Base-Backbone interact. energy: -0.529 local terms energy: -456.123357 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -144.436 flat angles C4'-P-C4' energy: -121.324 flat angles P-C4'-P energy: -82.468 tors. eta vs tors. theta energy: 39.057 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: 9 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2962.529555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.529555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.529555 (E_RNA) where: Base-Base interactions energy: -2019.395 where: short stacking energy: -847.634 Base-Backbone interact. energy: -3.479 local terms energy: -939.656030 where: bonds (distance) C4'-P energy: -179.938 bonds (distance) P-C4' energy: -172.229 flat angles C4'-P-C4' energy: -206.627 flat angles P-C4'-P energy: -136.324 tors. eta vs tors. theta energy: -244.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2800.733489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.733489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.733489 (E_RNA) where: Base-Base interactions energy: -1895.397 where: short stacking energy: -823.361 Base-Backbone interact. energy: 4.344 local terms energy: -909.681044 where: bonds (distance) C4'-P energy: -161.263 bonds (distance) P-C4' energy: -171.252 flat angles C4'-P-C4' energy: -199.016 flat angles P-C4'-P energy: -130.407 tors. eta vs tors. theta energy: -247.743 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: 4 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2666.369007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.369007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.369007 (E_RNA) where: Base-Base interactions energy: -1792.547 where: short stacking energy: -768.496 Base-Backbone interact. energy: -1.354 local terms energy: -872.467647 where: bonds (distance) C4'-P energy: -153.661 bonds (distance) P-C4' energy: -180.703 flat angles C4'-P-C4' energy: -184.082 flat angles P-C4'-P energy: -134.843 tors. eta vs tors. theta energy: -219.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2590.075667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.075667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.075667 (E_RNA) where: Base-Base interactions energy: -1728.507 where: short stacking energy: -763.856 Base-Backbone interact. energy: 5.146 local terms energy: -866.714517 where: bonds (distance) C4'-P energy: -172.434 bonds (distance) P-C4' energy: -164.973 flat angles C4'-P-C4' energy: -186.916 flat angles P-C4'-P energy: -118.989 tors. eta vs tors. theta energy: -223.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2329.257072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.257072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.257072 (E_RNA) where: Base-Base interactions energy: -1530.251 where: short stacking energy: -649.923 Base-Backbone interact. energy: 1.614 local terms energy: -800.620145 where: bonds (distance) C4'-P energy: -143.115 bonds (distance) P-C4' energy: -186.459 flat angles C4'-P-C4' energy: -165.028 flat angles P-C4'-P energy: -122.905 tors. eta vs tors. theta energy: -183.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2049.566852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.566852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.566852 (E_RNA) where: Base-Base interactions energy: -1309.672 where: short stacking energy: -570.030 Base-Backbone interact. energy: -0.168 local terms energy: -739.727076 where: bonds (distance) C4'-P energy: -163.929 bonds (distance) P-C4' energy: -166.348 flat angles C4'-P-C4' energy: -173.703 flat angles P-C4'-P energy: -98.524 tors. eta vs tors. theta energy: -137.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1916.621076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.621076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.621076 (E_RNA) where: Base-Base interactions energy: -1181.791 where: short stacking energy: -527.363 Base-Backbone interact. energy: -2.121 local terms energy: -732.708910 where: bonds (distance) C4'-P energy: -161.980 bonds (distance) P-C4' energy: -148.337 flat angles C4'-P-C4' energy: -160.777 flat angles P-C4'-P energy: -121.780 tors. eta vs tors. theta energy: -139.835 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: 8, replica: 1 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1152.724662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.724662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.724662 (E_RNA) where: Base-Base interactions energy: -569.935 where: short stacking energy: -312.744 Base-Backbone interact. energy: -0.659 local terms energy: -582.131248 where: bonds (distance) C4'-P energy: -142.022 bonds (distance) P-C4' energy: -174.980 flat angles C4'-P-C4' energy: -144.427 flat angles P-C4'-P energy: -92.607 tors. eta vs tors. theta energy: -28.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -772.883845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.883845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.883845 (E_RNA) where: Base-Base interactions energy: -310.296 where: short stacking energy: -199.687 Base-Backbone interact. energy: 5.558 local terms energy: -468.145972 where: bonds (distance) C4'-P energy: -143.476 bonds (distance) P-C4' energy: -161.767 flat angles C4'-P-C4' energy: -107.004 flat angles P-C4'-P energy: -84.333 tors. eta vs tors. theta energy: 28.434 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: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -747.477693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.477693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.477693 (E_RNA) where: Base-Base interactions energy: -282.775 where: short stacking energy: -175.337 Base-Backbone interact. energy: 1.307 local terms energy: -466.010383 where: bonds (distance) C4'-P energy: -157.560 bonds (distance) P-C4' energy: -167.466 flat angles C4'-P-C4' energy: -126.052 flat angles P-C4'-P energy: -50.705 tors. eta vs tors. theta energy: 35.773 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: 1, replica: 9 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2926.880810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.880810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.880810 (E_RNA) where: Base-Base interactions energy: -1970.473 where: short stacking energy: -841.952 Base-Backbone interact. energy: -6.019 local terms energy: -950.389180 where: bonds (distance) C4'-P energy: -178.867 bonds (distance) P-C4' energy: -181.730 flat angles C4'-P-C4' energy: -208.070 flat angles P-C4'-P energy: -129.801 tors. eta vs tors. theta energy: -251.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2801.659656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.659656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.659656 (E_RNA) where: Base-Base interactions energy: -1883.104 where: short stacking energy: -785.975 Base-Backbone interact. energy: -6.552 local terms energy: -912.004295 where: bonds (distance) C4'-P energy: -171.460 bonds (distance) P-C4' energy: -182.881 flat angles C4'-P-C4' energy: -195.493 flat angles P-C4'-P energy: -132.717 tors. eta vs tors. theta energy: -229.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2700.821177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.821177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.821177 (E_RNA) where: Base-Base interactions energy: -1805.658 where: short stacking energy: -761.886 Base-Backbone interact. energy: -0.424 local terms energy: -894.739459 where: bonds (distance) C4'-P energy: -164.294 bonds (distance) P-C4' energy: -164.643 flat angles C4'-P-C4' energy: -213.258 flat angles P-C4'-P energy: -118.871 tors. eta vs tors. theta energy: -233.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2621.940635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.940635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.940635 (E_RNA) where: Base-Base interactions energy: -1754.564 where: short stacking energy: -743.360 Base-Backbone interact. energy: 0.885 local terms energy: -868.261285 where: bonds (distance) C4'-P energy: -161.423 bonds (distance) P-C4' energy: -165.281 flat angles C4'-P-C4' energy: -193.280 flat angles P-C4'-P energy: -120.249 tors. eta vs tors. theta energy: -228.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2373.550660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.550660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.550660 (E_RNA) where: Base-Base interactions energy: -1600.101 where: short stacking energy: -665.815 Base-Backbone interact. energy: 7.381 local terms energy: -780.830915 where: bonds (distance) C4'-P energy: -156.368 bonds (distance) P-C4' energy: -157.551 flat angles C4'-P-C4' energy: -181.218 flat angles P-C4'-P energy: -118.739 tors. eta vs tors. theta energy: -166.955 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: 213 Temperature: 1.150000 Total energy: -2126.299386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.299386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.299386 (E_RNA) where: Base-Base interactions energy: -1382.319 where: short stacking energy: -562.814 Base-Backbone interact. energy: -1.289 local terms energy: -742.691217 where: bonds (distance) C4'-P energy: -155.001 bonds (distance) P-C4' energy: -155.341 flat angles C4'-P-C4' energy: -172.567 flat angles P-C4'-P energy: -119.423 tors. eta vs tors. theta energy: -140.359 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: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1903.580938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.580938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.580938 (E_RNA) where: Base-Base interactions energy: -1199.235 where: short stacking energy: -531.319 Base-Backbone interact. energy: 1.491 local terms energy: -705.837546 where: bonds (distance) C4'-P energy: -147.420 bonds (distance) P-C4' energy: -151.988 flat angles C4'-P-C4' energy: -162.003 flat angles P-C4'-P energy: -99.252 tors. eta vs tors. theta energy: -145.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1176.378641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.378641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.378641 (E_RNA) where: Base-Base interactions energy: -620.570 where: short stacking energy: -310.441 Base-Backbone interact. energy: 2.235 local terms energy: -558.043183 where: bonds (distance) C4'-P energy: -161.538 bonds (distance) P-C4' energy: -153.206 flat angles C4'-P-C4' energy: -140.142 flat angles P-C4'-P energy: -71.502 tors. eta vs tors. theta energy: -31.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -763.685276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.685276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.685276 (E_RNA) where: Base-Base interactions energy: -276.484 where: short stacking energy: -187.095 Base-Backbone interact. energy: 3.887 local terms energy: -491.088538 where: bonds (distance) C4'-P energy: -149.771 bonds (distance) P-C4' energy: -157.947 flat angles C4'-P-C4' energy: -128.436 flat angles P-C4'-P energy: -67.300 tors. eta vs tors. theta energy: 12.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -708.718079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.718079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.718079 (E_RNA) where: Base-Base interactions energy: -307.629 where: short stacking energy: -187.914 Base-Backbone interact. energy: 18.365 local terms energy: -419.454839 where: bonds (distance) C4'-P energy: -149.998 bonds (distance) P-C4' energy: -129.414 flat angles C4'-P-C4' energy: -122.456 flat angles P-C4'-P energy: -66.002 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: 1, replica: 9 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2980.348136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.348136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.348136 (E_RNA) where: Base-Base interactions energy: -2026.173 where: short stacking energy: -871.087 Base-Backbone interact. energy: -2.514 local terms energy: -951.662092 where: bonds (distance) C4'-P energy: -170.171 bonds (distance) P-C4' energy: -180.304 flat angles C4'-P-C4' energy: -198.987 flat angles P-C4'-P energy: -128.864 tors. eta vs tors. theta energy: -273.336 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: 6 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2815.105115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.105115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.105115 (E_RNA) where: Base-Base interactions energy: -1865.755 where: short stacking energy: -801.258 Base-Backbone interact. energy: -5.361 local terms energy: -943.988968 where: bonds (distance) C4'-P energy: -179.826 bonds (distance) P-C4' energy: -189.183 flat angles C4'-P-C4' energy: -197.010 flat angles P-C4'-P energy: -128.559 tors. eta vs tors. theta energy: -249.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2680.262804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.262804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.262804 (E_RNA) where: Base-Base interactions energy: -1794.413 where: short stacking energy: -764.037 Base-Backbone interact. energy: -2.830 local terms energy: -883.020133 where: bonds (distance) C4'-P energy: -172.032 bonds (distance) P-C4' energy: -181.930 flat angles C4'-P-C4' energy: -183.869 flat angles P-C4'-P energy: -122.069 tors. eta vs tors. theta energy: -223.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2635.519271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.519271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.519271 (E_RNA) where: Base-Base interactions energy: -1790.845 where: short stacking energy: -769.331 Base-Backbone interact. energy: 5.466 local terms energy: -850.140483 where: bonds (distance) C4'-P energy: -147.167 bonds (distance) P-C4' energy: -178.251 flat angles C4'-P-C4' energy: -190.117 flat angles P-C4'-P energy: -110.341 tors. eta vs tors. theta energy: -224.263 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: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2414.196670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.196670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.196670 (E_RNA) where: Base-Base interactions energy: -1610.972 where: short stacking energy: -647.147 Base-Backbone interact. energy: -1.442 local terms energy: -801.782932 where: bonds (distance) C4'-P energy: -171.115 bonds (distance) P-C4' energy: -160.522 flat angles C4'-P-C4' energy: -182.853 flat angles P-C4'-P energy: -106.962 tors. eta vs tors. theta energy: -180.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2103.159416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.159416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.159416 (E_RNA) where: Base-Base interactions energy: -1371.190 where: short stacking energy: -566.782 Base-Backbone interact. energy: -3.361 local terms energy: -728.608497 where: bonds (distance) C4'-P energy: -158.049 bonds (distance) P-C4' energy: -160.536 flat angles C4'-P-C4' energy: -162.004 flat angles P-C4'-P energy: -100.238 tors. eta vs tors. theta energy: -147.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1967.170702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.170702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.170702 (E_RNA) where: Base-Base interactions energy: -1240.477 where: short stacking energy: -553.476 Base-Backbone interact. energy: -2.223 local terms energy: -724.470507 where: bonds (distance) C4'-P energy: -154.922 bonds (distance) P-C4' energy: -168.498 flat angles C4'-P-C4' energy: -171.711 flat angles P-C4'-P energy: -91.398 tors. eta vs tors. theta energy: -137.942 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: 1 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1177.895839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.895839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.895839 (E_RNA) where: Base-Base interactions energy: -624.368 where: short stacking energy: -317.750 Base-Backbone interact. energy: 0.129 local terms energy: -553.657623 where: bonds (distance) C4'-P energy: -141.444 bonds (distance) P-C4' energy: -147.675 flat angles C4'-P-C4' energy: -158.890 flat angles P-C4'-P energy: -93.696 tors. eta vs tors. theta energy: -11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -807.548245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.548245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.548245 (E_RNA) where: Base-Base interactions energy: -323.386 where: short stacking energy: -197.997 Base-Backbone interact. energy: 0.805 local terms energy: -484.967605 where: bonds (distance) C4'-P energy: -136.651 bonds (distance) P-C4' energy: -163.227 flat angles C4'-P-C4' energy: -131.543 flat angles P-C4'-P energy: -83.078 tors. eta vs tors. theta energy: 29.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -732.768795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.768795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.768795 (E_RNA) where: Base-Base interactions energy: -298.782 where: short stacking energy: -191.475 Base-Backbone interact. energy: -0.151 local terms energy: -433.835393 where: bonds (distance) C4'-P energy: -152.770 bonds (distance) P-C4' energy: -149.705 flat angles C4'-P-C4' energy: -116.739 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: 47.538 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: 9 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2984.104396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.104396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.104396 (E_RNA) where: Base-Base interactions energy: -2020.561 where: short stacking energy: -864.781 Base-Backbone interact. energy: -3.589 local terms energy: -959.954715 where: bonds (distance) C4'-P energy: -198.504 bonds (distance) P-C4' energy: -163.728 flat angles C4'-P-C4' energy: -213.186 flat angles P-C4'-P energy: -134.981 tors. eta vs tors. theta energy: -249.555 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: 6 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2827.494708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.494708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.494708 (E_RNA) where: Base-Base interactions energy: -1893.514 where: short stacking energy: -777.874 Base-Backbone interact. energy: -5.182 local terms energy: -928.798462 where: bonds (distance) C4'-P energy: -186.805 bonds (distance) P-C4' energy: -180.180 flat angles C4'-P-C4' energy: -192.486 flat angles P-C4'-P energy: -144.103 tors. eta vs tors. theta energy: -225.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2633.913616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.913616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.913616 (E_RNA) where: Base-Base interactions energy: -1780.338 where: short stacking energy: -767.597 Base-Backbone interact. energy: -4.543 local terms energy: -849.032817 where: bonds (distance) C4'-P energy: -168.453 bonds (distance) P-C4' energy: -168.624 flat angles C4'-P-C4' energy: -195.865 flat angles P-C4'-P energy: -111.690 tors. eta vs tors. theta energy: -204.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2668.501475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.501475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.501475 (E_RNA) where: Base-Base interactions energy: -1805.913 where: short stacking energy: -745.306 Base-Backbone interact. energy: -0.065 local terms energy: -862.523297 where: bonds (distance) C4'-P energy: -162.295 bonds (distance) P-C4' energy: -176.445 flat angles C4'-P-C4' energy: -180.378 flat angles P-C4'-P energy: -128.012 tors. eta vs tors. theta energy: -215.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2413.725892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.725892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.725892 (E_RNA) where: Base-Base interactions energy: -1608.302 where: short stacking energy: -686.756 Base-Backbone interact. energy: 3.138 local terms energy: -808.561834 where: bonds (distance) C4'-P energy: -138.724 bonds (distance) P-C4' energy: -164.359 flat angles C4'-P-C4' energy: -183.819 flat angles P-C4'-P energy: -125.372 tors. eta vs tors. theta energy: -196.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2037.651163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.651163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.651163 (E_RNA) where: Base-Base interactions energy: -1312.774 where: short stacking energy: -563.661 Base-Backbone interact. energy: -2.438 local terms energy: -722.438390 where: bonds (distance) C4'-P energy: -172.960 bonds (distance) P-C4' energy: -152.068 flat angles C4'-P-C4' energy: -158.445 flat angles P-C4'-P energy: -118.501 tors. eta vs tors. theta energy: -120.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1901.910714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.910714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.910714 (E_RNA) where: Base-Base interactions energy: -1201.534 where: short stacking energy: -515.135 Base-Backbone interact. energy: 2.607 local terms energy: -702.984099 where: bonds (distance) C4'-P energy: -164.888 bonds (distance) P-C4' energy: -150.606 flat angles C4'-P-C4' energy: -180.472 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: -128.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1136.196729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.196729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.196729 (E_RNA) where: Base-Base interactions energy: -584.831 where: short stacking energy: -309.617 Base-Backbone interact. energy: 1.708 local terms energy: -553.073687 where: bonds (distance) C4'-P energy: -130.229 bonds (distance) P-C4' energy: -155.223 flat angles C4'-P-C4' energy: -147.677 flat angles P-C4'-P energy: -105.615 tors. eta vs tors. theta energy: -14.329 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: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -905.955945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.955945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.955945 (E_RNA) where: Base-Base interactions energy: -392.665 where: short stacking energy: -241.354 Base-Backbone interact. energy: 8.217 local terms energy: -521.507957 where: bonds (distance) C4'-P energy: -147.641 bonds (distance) P-C4' energy: -158.135 flat angles C4'-P-C4' energy: -134.675 flat angles P-C4'-P energy: -89.184 tors. eta vs tors. theta energy: 8.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -753.674957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.674957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.674957 (E_RNA) where: Base-Base interactions energy: -338.004 where: short stacking energy: -213.584 Base-Backbone interact. energy: 7.339 local terms energy: -423.009437 where: bonds (distance) C4'-P energy: -153.293 bonds (distance) P-C4' energy: -134.622 flat angles C4'-P-C4' energy: -115.403 flat angles P-C4'-P energy: -71.621 tors. eta vs tors. theta energy: 51.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2934.935284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.935284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.935284 (E_RNA) where: Base-Base interactions energy: -1976.321 where: short stacking energy: -856.873 Base-Backbone interact. energy: -3.371 local terms energy: -955.242940 where: bonds (distance) C4'-P energy: -172.873 bonds (distance) P-C4' energy: -182.973 flat angles C4'-P-C4' energy: -201.924 flat angles P-C4'-P energy: -145.574 tors. eta vs tors. theta energy: -251.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2820.305123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.305123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.305123 (E_RNA) where: Base-Base interactions energy: -1909.999 where: short stacking energy: -754.839 Base-Backbone interact. energy: -3.416 local terms energy: -906.889978 where: bonds (distance) C4'-P energy: -163.986 bonds (distance) P-C4' energy: -179.036 flat angles C4'-P-C4' energy: -198.727 flat angles P-C4'-P energy: -132.932 tors. eta vs tors. theta energy: -232.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2648.632825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.632825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.632825 (E_RNA) where: Base-Base interactions energy: -1789.297 where: short stacking energy: -754.397 Base-Backbone interact. energy: 0.596 local terms energy: -859.931783 where: bonds (distance) C4'-P energy: -170.112 bonds (distance) P-C4' energy: -163.166 flat angles C4'-P-C4' energy: -193.931 flat angles P-C4'-P energy: -125.079 tors. eta vs tors. theta energy: -207.644 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: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2639.719941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.719941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.719941 (E_RNA) where: Base-Base interactions energy: -1791.758 where: short stacking energy: -737.239 Base-Backbone interact. energy: 1.153 local terms energy: -849.114477 where: bonds (distance) C4'-P energy: -159.283 bonds (distance) P-C4' energy: -189.859 flat angles C4'-P-C4' energy: -167.591 flat angles P-C4'-P energy: -129.171 tors. eta vs tors. theta energy: -203.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2429.574028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.574028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.574028 (E_RNA) where: Base-Base interactions energy: -1620.850 where: short stacking energy: -724.938 Base-Backbone interact. energy: -3.573 local terms energy: -805.150243 where: bonds (distance) C4'-P energy: -151.927 bonds (distance) P-C4' energy: -162.253 flat angles C4'-P-C4' energy: -186.830 flat angles P-C4'-P energy: -103.085 tors. eta vs tors. theta energy: -201.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2076.695617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.695617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.695617 (E_RNA) where: Base-Base interactions energy: -1317.259 where: short stacking energy: -542.085 Base-Backbone interact. energy: -4.686 local terms energy: -754.751212 where: bonds (distance) C4'-P energy: -179.360 bonds (distance) P-C4' energy: -173.679 flat angles C4'-P-C4' energy: -167.104 flat angles P-C4'-P energy: -90.912 tors. eta vs tors. theta energy: -143.696 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: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1948.102654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.102654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.102654 (E_RNA) where: Base-Base interactions energy: -1219.134 where: short stacking energy: -546.679 Base-Backbone interact. energy: -2.029 local terms energy: -726.940126 where: bonds (distance) C4'-P energy: -159.099 bonds (distance) P-C4' energy: -157.334 flat angles C4'-P-C4' energy: -162.651 flat angles P-C4'-P energy: -110.167 tors. eta vs tors. theta energy: -137.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1100.430942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.430942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.430942 (E_RNA) where: Base-Base interactions energy: -573.416 where: short stacking energy: -329.887 Base-Backbone interact. energy: 1.751 local terms energy: -528.765851 where: bonds (distance) C4'-P energy: -149.131 bonds (distance) P-C4' energy: -134.652 flat angles C4'-P-C4' energy: -135.671 flat angles P-C4'-P energy: -81.775 tors. eta vs tors. theta energy: -27.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -877.344157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.344157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.344157 (E_RNA) where: Base-Base interactions energy: -390.351 where: short stacking energy: -231.783 Base-Backbone interact. energy: 4.855 local terms energy: -491.848885 where: bonds (distance) C4'-P energy: -143.075 bonds (distance) P-C4' energy: -153.325 flat angles C4'-P-C4' energy: -136.511 flat angles P-C4'-P energy: -61.617 tors. eta vs tors. theta energy: 2.679 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: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -758.604148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.604148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.604148 (E_RNA) where: Base-Base interactions energy: -328.751 where: short stacking energy: -206.192 Base-Backbone interact. energy: -0.249 local terms energy: -429.603766 where: bonds (distance) C4'-P energy: -132.240 bonds (distance) P-C4' energy: -142.241 flat angles C4'-P-C4' energy: -128.402 flat angles P-C4'-P energy: -68.855 tors. eta vs tors. theta energy: 42.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2952.152572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.152572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.152572 (E_RNA) where: Base-Base interactions energy: -1981.485 where: short stacking energy: -854.774 Base-Backbone interact. energy: -4.703 local terms energy: -965.964525 where: bonds (distance) C4'-P energy: -185.422 bonds (distance) P-C4' energy: -189.535 flat angles C4'-P-C4' energy: -194.016 flat angles P-C4'-P energy: -138.175 tors. eta vs tors. theta energy: -258.816 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: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2834.857408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.857408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.857408 (E_RNA) where: Base-Base interactions energy: -1916.493 where: short stacking energy: -765.674 Base-Backbone interact. energy: -1.459 local terms energy: -916.905014 where: bonds (distance) C4'-P energy: -164.553 bonds (distance) P-C4' energy: -190.140 flat angles C4'-P-C4' energy: -203.029 flat angles P-C4'-P energy: -136.458 tors. eta vs tors. theta energy: -222.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2677.833802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.833802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.833802 (E_RNA) where: Base-Base interactions energy: -1827.908 where: short stacking energy: -759.659 Base-Backbone interact. energy: -5.173 local terms energy: -844.752508 where: bonds (distance) C4'-P energy: -169.512 bonds (distance) P-C4' energy: -154.722 flat angles C4'-P-C4' energy: -189.887 flat angles P-C4'-P energy: -118.872 tors. eta vs tors. theta energy: -211.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2687.819774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.819774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.819774 (E_RNA) where: Base-Base interactions energy: -1835.339 where: short stacking energy: -758.753 Base-Backbone interact. energy: -0.821 local terms energy: -851.659227 where: bonds (distance) C4'-P energy: -166.459 bonds (distance) P-C4' energy: -167.977 flat angles C4'-P-C4' energy: -197.838 flat angles P-C4'-P energy: -104.431 tors. eta vs tors. theta energy: -214.955 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: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2400.235990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.235990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.235990 (E_RNA) where: Base-Base interactions energy: -1609.875 where: short stacking energy: -697.207 Base-Backbone interact. energy: -1.269 local terms energy: -789.092421 where: bonds (distance) C4'-P energy: -150.923 bonds (distance) P-C4' energy: -175.860 flat angles C4'-P-C4' energy: -169.675 flat angles P-C4'-P energy: -105.516 tors. eta vs tors. theta energy: -187.119 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: 10 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2048.569322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.569322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.569322 (E_RNA) where: Base-Base interactions energy: -1299.922 where: short stacking energy: -565.502 Base-Backbone interact. energy: 2.691 local terms energy: -751.339079 where: bonds (distance) C4'-P energy: -174.635 bonds (distance) P-C4' energy: -159.994 flat angles C4'-P-C4' energy: -172.742 flat angles P-C4'-P energy: -108.894 tors. eta vs tors. theta energy: -135.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1900.386469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.386469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.386469 (E_RNA) where: Base-Base interactions energy: -1204.258 where: short stacking energy: -521.784 Base-Backbone interact. energy: 5.292 local terms energy: -701.420113 where: bonds (distance) C4'-P energy: -167.822 bonds (distance) P-C4' energy: -148.394 flat angles C4'-P-C4' energy: -164.472 flat angles P-C4'-P energy: -105.631 tors. eta vs tors. theta energy: -115.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1120.730325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.730325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.730325 (E_RNA) where: Base-Base interactions energy: -577.712 where: short stacking energy: -314.223 Base-Backbone interact. energy: -0.543 local terms energy: -542.474557 where: bonds (distance) C4'-P energy: -138.255 bonds (distance) P-C4' energy: -166.451 flat angles C4'-P-C4' energy: -134.729 flat angles P-C4'-P energy: -70.948 tors. eta vs tors. theta energy: -32.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -896.702100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.702100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.702100 (E_RNA) where: Base-Base interactions energy: -411.854 where: short stacking energy: -238.492 Base-Backbone interact. energy: 3.702 local terms energy: -488.549575 where: bonds (distance) C4'-P energy: -162.338 bonds (distance) P-C4' energy: -147.805 flat angles C4'-P-C4' energy: -129.441 flat angles P-C4'-P energy: -82.531 tors. eta vs tors. theta energy: 33.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -762.471700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.471700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.471700 (E_RNA) where: Base-Base interactions energy: -311.822 where: short stacking energy: -212.281 Base-Backbone interact. energy: 3.259 local terms energy: -453.908577 where: bonds (distance) C4'-P energy: -134.341 bonds (distance) P-C4' energy: -155.131 flat angles C4'-P-C4' energy: -130.954 flat angles P-C4'-P energy: -68.019 tors. eta vs tors. theta energy: 34.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3000.147506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.147506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.147506 (E_RNA) where: Base-Base interactions energy: -2013.699 where: short stacking energy: -854.019 Base-Backbone interact. energy: -5.302 local terms energy: -981.146432 where: bonds (distance) C4'-P energy: -182.186 bonds (distance) P-C4' energy: -186.215 flat angles C4'-P-C4' energy: -212.595 flat angles P-C4'-P energy: -148.978 tors. eta vs tors. theta energy: -251.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2865.613082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.613082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.613082 (E_RNA) where: Base-Base interactions energy: -1921.375 where: short stacking energy: -809.870 Base-Backbone interact. energy: -0.289 local terms energy: -943.948706 where: bonds (distance) C4'-P energy: -182.320 bonds (distance) P-C4' energy: -182.215 flat angles C4'-P-C4' energy: -206.371 flat angles P-C4'-P energy: -137.122 tors. eta vs tors. theta energy: -235.921 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: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2744.951107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.951107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.951107 (E_RNA) where: Base-Base interactions energy: -1890.323 where: short stacking energy: -787.926 Base-Backbone interact. energy: 4.422 local terms energy: -859.050116 where: bonds (distance) C4'-P energy: -161.335 bonds (distance) P-C4' energy: -163.474 flat angles C4'-P-C4' energy: -190.126 flat angles P-C4'-P energy: -122.999 tors. eta vs tors. theta energy: -221.116 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: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2606.044005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.044005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.044005 (E_RNA) where: Base-Base interactions energy: -1749.156 where: short stacking energy: -742.394 Base-Backbone interact. energy: -6.672 local terms energy: -850.216330 where: bonds (distance) C4'-P energy: -156.484 bonds (distance) P-C4' energy: -170.355 flat angles C4'-P-C4' energy: -180.367 flat angles P-C4'-P energy: -121.565 tors. eta vs tors. theta energy: -221.445 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: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2393.242742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.242742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.242742 (E_RNA) where: Base-Base interactions energy: -1566.332 where: short stacking energy: -669.195 Base-Backbone interact. energy: 3.259 local terms energy: -830.170073 where: bonds (distance) C4'-P energy: -155.379 bonds (distance) P-C4' energy: -163.029 flat angles C4'-P-C4' energy: -185.675 flat angles P-C4'-P energy: -136.318 tors. eta vs tors. theta energy: -189.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2020.059107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.059107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.059107 (E_RNA) where: Base-Base interactions energy: -1290.589 where: short stacking energy: -552.654 Base-Backbone interact. energy: -1.600 local terms energy: -727.870619 where: bonds (distance) C4'-P energy: -149.591 bonds (distance) P-C4' energy: -151.922 flat angles C4'-P-C4' energy: -182.035 flat angles P-C4'-P energy: -94.086 tors. eta vs tors. theta energy: -150.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1879.739260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.739260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.739260 (E_RNA) where: Base-Base interactions energy: -1219.807 where: short stacking energy: -500.677 Base-Backbone interact. energy: 0.712 local terms energy: -660.644598 where: bonds (distance) C4'-P energy: -149.064 bonds (distance) P-C4' energy: -165.040 flat angles C4'-P-C4' energy: -152.059 flat angles P-C4'-P energy: -87.274 tors. eta vs tors. theta energy: -107.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1155.462664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.462664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.462664 (E_RNA) where: Base-Base interactions energy: -604.895 where: short stacking energy: -344.370 Base-Backbone interact. energy: -2.931 local terms energy: -547.636874 where: bonds (distance) C4'-P energy: -133.908 bonds (distance) P-C4' energy: -158.897 flat angles C4'-P-C4' energy: -132.373 flat angles P-C4'-P energy: -98.354 tors. eta vs tors. theta energy: -24.106 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: 9, replica: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -917.192815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.192815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.192815 (E_RNA) where: Base-Base interactions energy: -441.718 where: short stacking energy: -243.976 Base-Backbone interact. energy: 1.223 local terms energy: -476.698045 where: bonds (distance) C4'-P energy: -140.721 bonds (distance) P-C4' energy: -139.862 flat angles C4'-P-C4' energy: -120.653 flat angles P-C4'-P energy: -85.481 tors. eta vs tors. theta energy: 10.020 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: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -718.798499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.798499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.798499 (E_RNA) where: Base-Base interactions energy: -282.399 where: short stacking energy: -177.645 Base-Backbone interact. energy: 3.288 local terms energy: -439.687212 where: bonds (distance) C4'-P energy: -139.841 bonds (distance) P-C4' energy: -155.545 flat angles C4'-P-C4' energy: -115.705 flat angles P-C4'-P energy: -84.967 tors. eta vs tors. theta energy: 56.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2950.988802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.988802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.988802 (E_RNA) where: Base-Base interactions energy: -1982.861 where: short stacking energy: -867.287 Base-Backbone interact. energy: -2.536 local terms energy: -965.591457 where: bonds (distance) C4'-P energy: -189.871 bonds (distance) P-C4' energy: -192.479 flat angles C4'-P-C4' energy: -200.727 flat angles P-C4'-P energy: -132.253 tors. eta vs tors. theta energy: -250.261 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: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2875.037922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.037922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.037922 (E_RNA) where: Base-Base interactions energy: -1959.044 where: short stacking energy: -829.363 Base-Backbone interact. energy: 0.185 local terms energy: -916.179129 where: bonds (distance) C4'-P energy: -162.055 bonds (distance) P-C4' energy: -171.616 flat angles C4'-P-C4' energy: -197.545 flat angles P-C4'-P energy: -143.818 tors. eta vs tors. theta energy: -241.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2799.151635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.151635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.151635 (E_RNA) where: Base-Base interactions energy: -1935.800 where: short stacking energy: -801.167 Base-Backbone interact. energy: 6.745 local terms energy: -870.097285 where: bonds (distance) C4'-P energy: -166.940 bonds (distance) P-C4' energy: -155.133 flat angles C4'-P-C4' energy: -202.444 flat angles P-C4'-P energy: -115.165 tors. eta vs tors. theta energy: -230.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2517.302557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.302557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.302557 (E_RNA) where: Base-Base interactions energy: -1672.100 where: short stacking energy: -676.774 Base-Backbone interact. energy: -5.515 local terms energy: -839.687327 where: bonds (distance) C4'-P energy: -177.382 bonds (distance) P-C4' energy: -181.867 flat angles C4'-P-C4' energy: -188.224 flat angles P-C4'-P energy: -104.367 tors. eta vs tors. theta energy: -187.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2384.615867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.615867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.615867 (E_RNA) where: Base-Base interactions energy: -1576.356 where: short stacking energy: -657.784 Base-Backbone interact. energy: -2.651 local terms energy: -805.608470 where: bonds (distance) C4'-P energy: -158.410 bonds (distance) P-C4' energy: -176.901 flat angles C4'-P-C4' energy: -175.468 flat angles P-C4'-P energy: -112.923 tors. eta vs tors. theta energy: -181.907 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: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2164.983004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.983004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.983004 (E_RNA) where: Base-Base interactions energy: -1444.944 where: short stacking energy: -613.906 Base-Backbone interact. energy: -3.036 local terms energy: -717.002571 where: bonds (distance) C4'-P energy: -146.566 bonds (distance) P-C4' energy: -134.400 flat angles C4'-P-C4' energy: -172.722 flat angles P-C4'-P energy: -103.430 tors. eta vs tors. theta energy: -159.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1796.019900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.019900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.019900 (E_RNA) where: Base-Base interactions energy: -1153.932 where: short stacking energy: -509.973 Base-Backbone interact. energy: -1.399 local terms energy: -640.688417 where: bonds (distance) C4'-P energy: -146.260 bonds (distance) P-C4' energy: -153.431 flat angles C4'-P-C4' energy: -163.340 flat angles P-C4'-P energy: -76.113 tors. eta vs tors. theta energy: -101.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1060.187550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.187550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.187550 (E_RNA) where: Base-Base interactions energy: -535.594 where: short stacking energy: -280.262 Base-Backbone interact. energy: -0.822 local terms energy: -523.771494 where: bonds (distance) C4'-P energy: -124.548 bonds (distance) P-C4' energy: -144.120 flat angles C4'-P-C4' energy: -157.065 flat angles P-C4'-P energy: -79.803 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -850.696785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.696785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.696785 (E_RNA) where: Base-Base interactions energy: -344.976 where: short stacking energy: -223.705 Base-Backbone interact. energy: -3.064 local terms energy: -502.656166 where: bonds (distance) C4'-P energy: -153.294 bonds (distance) P-C4' energy: -153.512 flat angles C4'-P-C4' energy: -133.998 flat angles P-C4'-P energy: -79.091 tors. eta vs tors. theta energy: 17.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -731.235842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.235842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.235842 (E_RNA) where: Base-Base interactions energy: -300.340 where: short stacking energy: -166.651 Base-Backbone interact. energy: 2.625 local terms energy: -433.520696 where: bonds (distance) C4'-P energy: -146.319 bonds (distance) P-C4' energy: -143.638 flat angles C4'-P-C4' energy: -122.383 flat angles P-C4'-P energy: -67.504 tors. eta vs tors. theta energy: 46.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2967.187389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.187389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.187389 (E_RNA) where: Base-Base interactions energy: -2002.445 where: short stacking energy: -865.959 Base-Backbone interact. energy: -1.424 local terms energy: -963.318548 where: bonds (distance) C4'-P energy: -172.784 bonds (distance) P-C4' energy: -172.895 flat angles C4'-P-C4' energy: -221.770 flat angles P-C4'-P energy: -149.559 tors. eta vs tors. theta energy: -246.310 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: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2909.955728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.955728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.955728 (E_RNA) where: Base-Base interactions energy: -1962.260 where: short stacking energy: -816.546 Base-Backbone interact. energy: -2.028 local terms energy: -945.667770 where: bonds (distance) C4'-P energy: -176.825 bonds (distance) P-C4' energy: -190.461 flat angles C4'-P-C4' energy: -200.764 flat angles P-C4'-P energy: -139.067 tors. eta vs tors. theta energy: -238.551 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: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2823.155112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.155112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.155112 (E_RNA) where: Base-Base interactions energy: -1950.281 where: short stacking energy: -804.896 Base-Backbone interact. energy: -5.056 local terms energy: -867.817541 where: bonds (distance) C4'-P energy: -157.463 bonds (distance) P-C4' energy: -184.150 flat angles C4'-P-C4' energy: -180.289 flat angles P-C4'-P energy: -116.160 tors. eta vs tors. theta energy: -229.755 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: 4, replica: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2502.798595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.798595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.798595 (E_RNA) where: Base-Base interactions energy: -1672.945 where: short stacking energy: -691.783 Base-Backbone interact. energy: -0.025 local terms energy: -829.829116 where: bonds (distance) C4'-P energy: -160.698 bonds (distance) P-C4' energy: -153.398 flat angles C4'-P-C4' energy: -181.092 flat angles P-C4'-P energy: -135.849 tors. eta vs tors. theta energy: -198.792 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: 5, replica: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2410.222386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.222386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.222386 (E_RNA) where: Base-Base interactions energy: -1556.343 where: short stacking energy: -684.639 Base-Backbone interact. energy: -2.047 local terms energy: -851.832935 where: bonds (distance) C4'-P energy: -160.440 bonds (distance) P-C4' energy: -177.802 flat angles C4'-P-C4' energy: -191.824 flat angles P-C4'-P energy: -118.922 tors. eta vs tors. theta energy: -202.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2188.726662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.726662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.726662 (E_RNA) where: Base-Base interactions energy: -1448.493 where: short stacking energy: -595.845 Base-Backbone interact. energy: -2.286 local terms energy: -737.947201 where: bonds (distance) C4'-P energy: -153.116 bonds (distance) P-C4' energy: -155.958 flat angles C4'-P-C4' energy: -177.919 flat angles P-C4'-P energy: -107.482 tors. eta vs tors. theta energy: -143.473 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: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1693.535429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.535429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.535429 (E_RNA) where: Base-Base interactions energy: -1037.540 where: short stacking energy: -413.289 Base-Backbone interact. energy: 2.221 local terms energy: -658.216560 where: bonds (distance) C4'-P energy: -139.791 bonds (distance) P-C4' energy: -174.290 flat angles C4'-P-C4' energy: -171.195 flat angles P-C4'-P energy: -96.208 tors. eta vs tors. theta energy: -76.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1059.137977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.137977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.137977 (E_RNA) where: Base-Base interactions energy: -543.104 where: short stacking energy: -305.865 Base-Backbone interact. energy: 2.270 local terms energy: -518.304401 where: bonds (distance) C4'-P energy: -138.973 bonds (distance) P-C4' energy: -154.011 flat angles C4'-P-C4' energy: -147.547 flat angles P-C4'-P energy: -77.868 tors. eta vs tors. theta energy: 0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -907.318517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.318517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.318517 (E_RNA) where: Base-Base interactions energy: -389.412 where: short stacking energy: -196.507 Base-Backbone interact. energy: 0.593 local terms energy: -518.499888 where: bonds (distance) C4'-P energy: -155.079 bonds (distance) P-C4' energy: -164.659 flat angles C4'-P-C4' energy: -133.377 flat angles P-C4'-P energy: -77.642 tors. eta vs tors. theta energy: 12.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -747.241207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.241207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.241207 (E_RNA) where: Base-Base interactions energy: -281.072 where: short stacking energy: -174.784 Base-Backbone interact. energy: -2.201 local terms energy: -463.967989 where: bonds (distance) C4'-P energy: -132.124 bonds (distance) P-C4' energy: -146.650 flat angles C4'-P-C4' energy: -143.826 flat angles P-C4'-P energy: -65.357 tors. eta vs tors. theta energy: 23.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2996.340009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.340009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.340009 (E_RNA) where: Base-Base interactions energy: -2000.571 where: short stacking energy: -871.863 Base-Backbone interact. energy: -1.053 local terms energy: -994.715723 where: bonds (distance) C4'-P energy: -181.526 bonds (distance) P-C4' energy: -192.367 flat angles C4'-P-C4' energy: -214.674 flat angles P-C4'-P energy: -140.834 tors. eta vs tors. theta energy: -265.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2893.746507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.746507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.746507 (E_RNA) where: Base-Base interactions energy: -2011.243 where: short stacking energy: -815.028 Base-Backbone interact. energy: 1.965 local terms energy: -884.469139 where: bonds (distance) C4'-P energy: -173.667 bonds (distance) P-C4' energy: -171.067 flat angles C4'-P-C4' energy: -204.832 flat angles P-C4'-P energy: -129.517 tors. eta vs tors. theta energy: -205.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2770.333890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.333890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.333890 (E_RNA) where: Base-Base interactions energy: -1887.666 where: short stacking energy: -764.427 Base-Backbone interact. energy: -3.144 local terms energy: -879.523465 where: bonds (distance) C4'-P energy: -166.979 bonds (distance) P-C4' energy: -184.067 flat angles C4'-P-C4' energy: -189.254 flat angles P-C4'-P energy: -104.869 tors. eta vs tors. theta energy: -234.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2464.321039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.321039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.321039 (E_RNA) where: Base-Base interactions energy: -1604.663 where: short stacking energy: -672.503 Base-Backbone interact. energy: -3.979 local terms energy: -855.679423 where: bonds (distance) C4'-P energy: -176.144 bonds (distance) P-C4' energy: -198.041 flat angles C4'-P-C4' energy: -188.904 flat angles P-C4'-P energy: -119.735 tors. eta vs tors. theta energy: -172.856 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: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2364.977508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.977508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.977508 (E_RNA) where: Base-Base interactions energy: -1556.798 where: short stacking energy: -662.775 Base-Backbone interact. energy: -2.761 local terms energy: -805.418565 where: bonds (distance) C4'-P energy: -169.657 bonds (distance) P-C4' energy: -176.935 flat angles C4'-P-C4' energy: -158.726 flat angles P-C4'-P energy: -115.681 tors. eta vs tors. theta energy: -184.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2207.199451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.199451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.199451 (E_RNA) where: Base-Base interactions energy: -1496.774 where: short stacking energy: -628.481 Base-Backbone interact. energy: -0.766 local terms energy: -709.659651 where: bonds (distance) C4'-P energy: -162.084 bonds (distance) P-C4' energy: -157.081 flat angles C4'-P-C4' energy: -154.127 flat angles P-C4'-P energy: -77.899 tors. eta vs tors. theta energy: -158.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1769.287767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.287767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.287767 (E_RNA) where: Base-Base interactions energy: -1122.374 where: short stacking energy: -498.607 Base-Backbone interact. energy: 2.396 local terms energy: -649.310528 where: bonds (distance) C4'-P energy: -159.586 bonds (distance) P-C4' energy: -135.170 flat angles C4'-P-C4' energy: -153.644 flat angles P-C4'-P energy: -98.178 tors. eta vs tors. theta energy: -102.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1030.879825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.879825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.879825 (E_RNA) where: Base-Base interactions energy: -489.202 where: short stacking energy: -274.066 Base-Backbone interact. energy: 1.544 local terms energy: -543.221871 where: bonds (distance) C4'-P energy: -153.200 bonds (distance) P-C4' energy: -164.259 flat angles C4'-P-C4' energy: -151.801 flat angles P-C4'-P energy: -76.153 tors. eta vs tors. theta energy: 2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -979.487147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.487147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.487147 (E_RNA) where: Base-Base interactions energy: -476.389 where: short stacking energy: -251.476 Base-Backbone interact. energy: -0.935 local terms energy: -502.163250 where: bonds (distance) C4'-P energy: -135.131 bonds (distance) P-C4' energy: -171.076 flat angles C4'-P-C4' energy: -119.769 flat angles P-C4'-P energy: -78.973 tors. eta vs tors. theta energy: 2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -739.882681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.882681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.882681 (E_RNA) where: Base-Base interactions energy: -308.046 where: short stacking energy: -172.126 Base-Backbone interact. energy: 3.817 local terms energy: -435.653919 where: bonds (distance) C4'-P energy: -143.286 bonds (distance) P-C4' energy: -139.121 flat angles C4'-P-C4' energy: -106.955 flat angles P-C4'-P energy: -62.894 tors. eta vs tors. theta energy: 16.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2952.191841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.191841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.191841 (E_RNA) where: Base-Base interactions energy: -1980.860 where: short stacking energy: -867.142 Base-Backbone interact. energy: 1.924 local terms energy: -973.256198 where: bonds (distance) C4'-P energy: -174.177 bonds (distance) P-C4' energy: -193.823 flat angles C4'-P-C4' energy: -202.492 flat angles P-C4'-P energy: -147.385 tors. eta vs tors. theta energy: -255.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2881.189722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.189722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.189722 (E_RNA) where: Base-Base interactions energy: -1955.547 where: short stacking energy: -794.785 Base-Backbone interact. energy: -2.792 local terms energy: -922.851015 where: bonds (distance) C4'-P energy: -171.539 bonds (distance) P-C4' energy: -172.873 flat angles C4'-P-C4' energy: -207.351 flat angles P-C4'-P energy: -136.318 tors. eta vs tors. theta energy: -234.770 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: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2814.841925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.841925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.841925 (E_RNA) where: Base-Base interactions energy: -1921.851 where: short stacking energy: -766.141 Base-Backbone interact. energy: 0.253 local terms energy: -893.244266 where: bonds (distance) C4'-P energy: -173.241 bonds (distance) P-C4' energy: -164.340 flat angles C4'-P-C4' energy: -204.835 flat angles P-C4'-P energy: -131.423 tors. eta vs tors. theta energy: -219.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2413.147282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.147282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.147282 (E_RNA) where: Base-Base interactions energy: -1584.473 where: short stacking energy: -663.273 Base-Backbone interact. energy: -3.582 local terms energy: -825.091860 where: bonds (distance) C4'-P energy: -164.834 bonds (distance) P-C4' energy: -161.975 flat angles C4'-P-C4' energy: -174.550 flat angles P-C4'-P energy: -134.566 tors. eta vs tors. theta energy: -189.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2337.293863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.293863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.293863 (E_RNA) where: Base-Base interactions energy: -1590.583 where: short stacking energy: -685.019 Base-Backbone interact. energy: -0.189 local terms energy: -746.522315 where: bonds (distance) C4'-P energy: -159.988 bonds (distance) P-C4' energy: -156.081 flat angles C4'-P-C4' energy: -171.952 flat angles P-C4'-P energy: -88.359 tors. eta vs tors. theta energy: -170.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2234.929478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.929478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.929478 (E_RNA) where: Base-Base interactions energy: -1462.566 where: short stacking energy: -624.814 Base-Backbone interact. energy: -6.699 local terms energy: -765.664817 where: bonds (distance) C4'-P energy: -146.118 bonds (distance) P-C4' energy: -156.936 flat angles C4'-P-C4' energy: -172.723 flat angles P-C4'-P energy: -122.916 tors. eta vs tors. theta energy: -166.973 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: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1780.228984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.228984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.228984 (E_RNA) where: Base-Base interactions energy: -1101.068 where: short stacking energy: -489.907 Base-Backbone interact. energy: -2.871 local terms energy: -676.290542 where: bonds (distance) C4'-P energy: -142.994 bonds (distance) P-C4' energy: -168.071 flat angles C4'-P-C4' energy: -159.198 flat angles P-C4'-P energy: -107.867 tors. eta vs tors. theta energy: -98.161 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: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -987.913183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.913183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.913183 (E_RNA) where: Base-Base interactions energy: -457.421 where: short stacking energy: -274.302 Base-Backbone interact. energy: -3.339 local terms energy: -527.152300 where: bonds (distance) C4'-P energy: -139.432 bonds (distance) P-C4' energy: -163.013 flat angles C4'-P-C4' energy: -141.984 flat angles P-C4'-P energy: -71.227 tors. eta vs tors. theta energy: -11.497 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: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -978.618643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.618643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.618643 (E_RNA) where: Base-Base interactions energy: -498.992 where: short stacking energy: -264.954 Base-Backbone interact. energy: -1.951 local terms energy: -477.675887 where: bonds (distance) C4'-P energy: -139.555 bonds (distance) P-C4' energy: -143.655 flat angles C4'-P-C4' energy: -144.345 flat angles P-C4'-P energy: -71.773 tors. eta vs tors. theta energy: 21.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -744.655102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.655102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.655102 (E_RNA) where: Base-Base interactions energy: -310.294 where: short stacking energy: -192.546 Base-Backbone interact. energy: 4.605 local terms energy: -438.965601 where: bonds (distance) C4'-P energy: -126.785 bonds (distance) P-C4' energy: -138.157 flat angles C4'-P-C4' energy: -119.703 flat angles P-C4'-P energy: -78.491 tors. eta vs tors. theta energy: 24.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2970.036671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.036671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.036671 (E_RNA) where: Base-Base interactions energy: -1992.833 where: short stacking energy: -886.768 Base-Backbone interact. energy: -2.338 local terms energy: -974.865749 where: bonds (distance) C4'-P energy: -176.856 bonds (distance) P-C4' energy: -185.652 flat angles C4'-P-C4' energy: -222.174 flat angles P-C4'-P energy: -135.369 tors. eta vs tors. theta energy: -254.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2851.707704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.707704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.707704 (E_RNA) where: Base-Base interactions energy: -1937.605 where: short stacking energy: -822.839 Base-Backbone interact. energy: -6.165 local terms energy: -907.937135 where: bonds (distance) C4'-P energy: -161.589 bonds (distance) P-C4' energy: -159.000 flat angles C4'-P-C4' energy: -204.190 flat angles P-C4'-P energy: -138.610 tors. eta vs tors. theta energy: -244.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2792.625246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.625246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.625246 (E_RNA) where: Base-Base interactions energy: -1912.741 where: short stacking energy: -776.160 Base-Backbone interact. energy: 5.340 local terms energy: -885.223835 where: bonds (distance) C4'-P energy: -184.488 bonds (distance) P-C4' energy: -164.887 flat angles C4'-P-C4' energy: -187.180 flat angles P-C4'-P energy: -117.886 tors. eta vs tors. theta energy: -230.783 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: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2418.778787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.778787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.778787 (E_RNA) where: Base-Base interactions energy: -1593.401 where: short stacking energy: -644.675 Base-Backbone interact. energy: 0.801 local terms energy: -826.178846 where: bonds (distance) C4'-P energy: -160.742 bonds (distance) P-C4' energy: -170.631 flat angles C4'-P-C4' energy: -197.587 flat angles P-C4'-P energy: -123.583 tors. eta vs tors. theta energy: -173.635 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: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2309.555859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.555859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.555859 (E_RNA) where: Base-Base interactions energy: -1501.711 where: short stacking energy: -645.304 Base-Backbone interact. energy: -4.664 local terms energy: -803.180547 where: bonds (distance) C4'-P energy: -162.778 bonds (distance) P-C4' energy: -165.316 flat angles C4'-P-C4' energy: -182.234 flat angles P-C4'-P energy: -118.847 tors. eta vs tors. theta energy: -174.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2194.957720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.957720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.957720 (E_RNA) where: Base-Base interactions energy: -1415.497 where: short stacking energy: -618.071 Base-Backbone interact. energy: -6.198 local terms energy: -773.262584 where: bonds (distance) C4'-P energy: -170.097 bonds (distance) P-C4' energy: -170.697 flat angles C4'-P-C4' energy: -154.408 flat angles P-C4'-P energy: -114.093 tors. eta vs tors. theta energy: -163.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1765.149938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.149938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.149938 (E_RNA) where: Base-Base interactions energy: -1056.122 where: short stacking energy: -480.405 Base-Backbone interact. energy: 1.158 local terms energy: -710.186463 where: bonds (distance) C4'-P energy: -182.541 bonds (distance) P-C4' energy: -177.343 flat angles C4'-P-C4' energy: -153.220 flat angles P-C4'-P energy: -97.349 tors. eta vs tors. theta energy: -99.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1085.806958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.806958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.806958 (E_RNA) where: Base-Base interactions energy: -566.601 where: short stacking energy: -299.984 Base-Backbone interact. energy: -0.890 local terms energy: -518.316234 where: bonds (distance) C4'-P energy: -136.266 bonds (distance) P-C4' energy: -154.106 flat angles C4'-P-C4' energy: -142.943 flat angles P-C4'-P energy: -74.412 tors. eta vs tors. theta energy: -10.589 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: 9, replica: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1002.980101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.980101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.980101 (E_RNA) where: Base-Base interactions energy: -524.109 where: short stacking energy: -242.919 Base-Backbone interact. energy: -2.874 local terms energy: -475.997293 where: bonds (distance) C4'-P energy: -140.477 bonds (distance) P-C4' energy: -153.171 flat angles C4'-P-C4' energy: -154.008 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: 11.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -729.882118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.882118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.882118 (E_RNA) where: Base-Base interactions energy: -284.191 where: short stacking energy: -181.492 Base-Backbone interact. energy: 2.931 local terms energy: -448.621640 where: bonds (distance) C4'-P energy: -148.115 bonds (distance) P-C4' energy: -136.755 flat angles C4'-P-C4' energy: -126.046 flat angles P-C4'-P energy: -69.025 tors. eta vs tors. theta energy: 31.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2915.146903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.146903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.146903 (E_RNA) where: Base-Base interactions energy: -1965.052 where: short stacking energy: -835.074 Base-Backbone interact. energy: 1.085 local terms energy: -951.179630 where: bonds (distance) C4'-P energy: -179.483 bonds (distance) P-C4' energy: -187.040 flat angles C4'-P-C4' energy: -211.296 flat angles P-C4'-P energy: -141.612 tors. eta vs tors. theta energy: -231.749 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: 224 Temperature: 0.950000 Total energy: -2909.167566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.167566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.167566 (E_RNA) where: Base-Base interactions energy: -1975.254 where: short stacking energy: -807.640 Base-Backbone interact. energy: -3.204 local terms energy: -930.709565 where: bonds (distance) C4'-P energy: -165.079 bonds (distance) P-C4' energy: -180.035 flat angles C4'-P-C4' energy: -212.051 flat angles P-C4'-P energy: -139.083 tors. eta vs tors. theta energy: -234.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2784.954396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.954396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.954396 (E_RNA) where: Base-Base interactions energy: -1911.035 where: short stacking energy: -800.883 Base-Backbone interact. energy: 1.295 local terms energy: -875.214348 where: bonds (distance) C4'-P energy: -141.281 bonds (distance) P-C4' energy: -169.604 flat angles C4'-P-C4' energy: -214.211 flat angles P-C4'-P energy: -113.528 tors. eta vs tors. theta energy: -236.590 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: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2468.872666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.872666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.872666 (E_RNA) where: Base-Base interactions energy: -1631.429 where: short stacking energy: -709.243 Base-Backbone interact. energy: -0.306 local terms energy: -837.138266 where: bonds (distance) C4'-P energy: -164.021 bonds (distance) P-C4' energy: -183.538 flat angles C4'-P-C4' energy: -183.435 flat angles P-C4'-P energy: -118.274 tors. eta vs tors. theta energy: -187.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2268.765881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.765881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.765881 (E_RNA) where: Base-Base interactions energy: -1468.880 where: short stacking energy: -630.795 Base-Backbone interact. energy: -2.107 local terms energy: -797.778921 where: bonds (distance) C4'-P energy: -158.484 bonds (distance) P-C4' energy: -171.324 flat angles C4'-P-C4' energy: -196.491 flat angles P-C4'-P energy: -108.547 tors. eta vs tors. theta energy: -162.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2169.266001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.266001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.266001 (E_RNA) where: Base-Base interactions energy: -1447.940 where: short stacking energy: -617.629 Base-Backbone interact. energy: 1.078 local terms energy: -722.404420 where: bonds (distance) C4'-P energy: -146.012 bonds (distance) P-C4' energy: -148.492 flat angles C4'-P-C4' energy: -172.852 flat angles P-C4'-P energy: -93.488 tors. eta vs tors. theta energy: -161.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1808.841525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.841525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.841525 (E_RNA) where: Base-Base interactions energy: -1167.328 where: short stacking energy: -485.834 Base-Backbone interact. energy: 4.455 local terms energy: -645.968631 where: bonds (distance) C4'-P energy: -131.543 bonds (distance) P-C4' energy: -141.711 flat angles C4'-P-C4' energy: -162.925 flat angles P-C4'-P energy: -116.499 tors. eta vs tors. theta energy: -93.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1041.715730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.715730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.715730 (E_RNA) where: Base-Base interactions energy: -543.584 where: short stacking energy: -278.985 Base-Backbone interact. energy: -0.286 local terms energy: -497.846015 where: bonds (distance) C4'-P energy: -141.740 bonds (distance) P-C4' energy: -148.617 flat angles C4'-P-C4' energy: -124.957 flat angles P-C4'-P energy: -93.866 tors. eta vs tors. theta energy: 11.334 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: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -873.288846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.288846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.288846 (E_RNA) where: Base-Base interactions energy: -421.268 where: short stacking energy: -237.042 Base-Backbone interact. energy: 6.336 local terms energy: -458.356708 where: bonds (distance) C4'-P energy: -154.533 bonds (distance) P-C4' energy: -155.473 flat angles C4'-P-C4' energy: -128.702 flat angles P-C4'-P energy: -45.167 tors. eta vs tors. theta energy: 25.519 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: 5 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -744.013617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.013617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.013617 (E_RNA) where: Base-Base interactions energy: -293.274 where: short stacking energy: -195.055 Base-Backbone interact. energy: -1.269 local terms energy: -449.470610 where: bonds (distance) C4'-P energy: -120.487 bonds (distance) P-C4' energy: -152.269 flat angles C4'-P-C4' energy: -125.248 flat angles P-C4'-P energy: -78.872 tors. eta vs tors. theta energy: 27.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2972.699074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.699074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.699074 (E_RNA) where: Base-Base interactions energy: -1984.402 where: short stacking energy: -870.443 Base-Backbone interact. energy: 2.376 local terms energy: -990.673010 where: bonds (distance) C4'-P energy: -184.779 bonds (distance) P-C4' energy: -182.122 flat angles C4'-P-C4' energy: -211.953 flat angles P-C4'-P energy: -140.201 tors. eta vs tors. theta energy: -271.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2883.614100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.614100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.614100 (E_RNA) where: Base-Base interactions energy: -1918.362 where: short stacking energy: -804.299 Base-Backbone interact. energy: -3.176 local terms energy: -962.076431 where: bonds (distance) C4'-P energy: -181.881 bonds (distance) P-C4' energy: -194.685 flat angles C4'-P-C4' energy: -214.590 flat angles P-C4'-P energy: -132.905 tors. eta vs tors. theta energy: -238.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2828.028720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.028720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.028720 (E_RNA) where: Base-Base interactions energy: -1920.052 where: short stacking energy: -767.839 Base-Backbone interact. energy: 2.440 local terms energy: -910.416927 where: bonds (distance) C4'-P energy: -170.254 bonds (distance) P-C4' energy: -173.798 flat angles C4'-P-C4' energy: -203.390 flat angles P-C4'-P energy: -125.947 tors. eta vs tors. theta energy: -237.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2422.664497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.664497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.664497 (E_RNA) where: Base-Base interactions energy: -1627.199 where: short stacking energy: -642.540 Base-Backbone interact. energy: -4.966 local terms energy: -790.498925 where: bonds (distance) C4'-P energy: -136.106 bonds (distance) P-C4' energy: -177.310 flat angles C4'-P-C4' energy: -184.870 flat angles P-C4'-P energy: -118.278 tors. eta vs tors. theta energy: -173.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2362.320825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.320825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.320825 (E_RNA) where: Base-Base interactions energy: -1555.159 where: short stacking energy: -668.171 Base-Backbone interact. energy: 0.848 local terms energy: -808.009889 where: bonds (distance) C4'-P energy: -177.350 bonds (distance) P-C4' energy: -162.909 flat angles C4'-P-C4' energy: -179.848 flat angles P-C4'-P energy: -105.952 tors. eta vs tors. theta energy: -181.951 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: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2203.041618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.041618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.041618 (E_RNA) where: Base-Base interactions energy: -1457.245 where: short stacking energy: -638.279 Base-Backbone interact. energy: 3.393 local terms energy: -749.189347 where: bonds (distance) C4'-P energy: -153.293 bonds (distance) P-C4' energy: -157.617 flat angles C4'-P-C4' energy: -176.008 flat angles P-C4'-P energy: -110.894 tors. eta vs tors. theta energy: -151.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1860.399704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.399704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.399704 (E_RNA) where: Base-Base interactions energy: -1161.148 where: short stacking energy: -501.169 Base-Backbone interact. energy: 1.600 local terms energy: -700.851983 where: bonds (distance) C4'-P energy: -167.701 bonds (distance) P-C4' energy: -152.764 flat angles C4'-P-C4' energy: -158.621 flat angles P-C4'-P energy: -96.498 tors. eta vs tors. theta energy: -125.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1090.801955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.801955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.801955 (E_RNA) where: Base-Base interactions energy: -554.482 where: short stacking energy: -276.960 Base-Backbone interact. energy: 1.666 local terms energy: -537.986146 where: bonds (distance) C4'-P energy: -149.632 bonds (distance) P-C4' energy: -138.266 flat angles C4'-P-C4' energy: -144.813 flat angles P-C4'-P energy: -84.245 tors. eta vs tors. theta energy: -21.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -912.505322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.505322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.505322 (E_RNA) where: Base-Base interactions energy: -425.970 where: short stacking energy: -240.419 Base-Backbone interact. energy: -0.607 local terms energy: -485.927540 where: bonds (distance) C4'-P energy: -128.357 bonds (distance) P-C4' energy: -155.171 flat angles C4'-P-C4' energy: -131.807 flat angles P-C4'-P energy: -70.423 tors. eta vs tors. theta energy: -0.170 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: 5 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -759.639395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.639395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.639395 (E_RNA) where: Base-Base interactions energy: -289.790 where: short stacking energy: -201.610 Base-Backbone interact. energy: 3.301 local terms energy: -473.150770 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -150.689 flat angles C4'-P-C4' energy: -144.446 flat angles P-C4'-P energy: -68.908 tors. eta vs tors. theta energy: 23.834 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: 9 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2977.422108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.422108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.422108 (E_RNA) where: Base-Base interactions energy: -2004.719 where: short stacking energy: -892.746 Base-Backbone interact. energy: -1.177 local terms energy: -971.526347 where: bonds (distance) C4'-P energy: -179.649 bonds (distance) P-C4' energy: -186.671 flat angles C4'-P-C4' energy: -206.436 flat angles P-C4'-P energy: -136.884 tors. eta vs tors. theta energy: -261.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2960.038048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.038048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.038048 (E_RNA) where: Base-Base interactions energy: -1993.275 where: short stacking energy: -854.387 Base-Backbone interact. energy: 3.868 local terms energy: -970.631031 where: bonds (distance) C4'-P energy: -163.853 bonds (distance) P-C4' energy: -185.213 flat angles C4'-P-C4' energy: -211.698 flat angles P-C4'-P energy: -138.555 tors. eta vs tors. theta energy: -271.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2767.666504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.666504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.666504 (E_RNA) where: Base-Base interactions energy: -1893.271 where: short stacking energy: -752.214 Base-Backbone interact. energy: -2.406 local terms energy: -871.989369 where: bonds (distance) C4'-P energy: -165.383 bonds (distance) P-C4' energy: -170.047 flat angles C4'-P-C4' energy: -185.921 flat angles P-C4'-P energy: -132.472 tors. eta vs tors. theta energy: -218.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2469.874004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.874004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.874004 (E_RNA) where: Base-Base interactions energy: -1604.901 where: short stacking energy: -705.905 Base-Backbone interact. energy: -2.988 local terms energy: -861.985247 where: bonds (distance) C4'-P energy: -158.700 bonds (distance) P-C4' energy: -178.313 flat angles C4'-P-C4' energy: -207.105 flat angles P-C4'-P energy: -110.060 tors. eta vs tors. theta energy: -207.808 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: 10 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2329.513175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.513175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.513175 (E_RNA) where: Base-Base interactions energy: -1537.195 where: short stacking energy: -639.867 Base-Backbone interact. energy: -3.308 local terms energy: -789.009570 where: bonds (distance) C4'-P energy: -153.883 bonds (distance) P-C4' energy: -178.412 flat angles C4'-P-C4' energy: -177.758 flat angles P-C4'-P energy: -104.742 tors. eta vs tors. theta energy: -174.215 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: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2090.617219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.617219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.617219 (E_RNA) where: Base-Base interactions energy: -1356.229 where: short stacking energy: -596.897 Base-Backbone interact. energy: -2.010 local terms energy: -732.378209 where: bonds (distance) C4'-P energy: -156.014 bonds (distance) P-C4' energy: -150.691 flat angles C4'-P-C4' energy: -179.797 flat angles P-C4'-P energy: -118.118 tors. eta vs tors. theta energy: -127.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1783.218580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.218580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.218580 (E_RNA) where: Base-Base interactions energy: -1144.881 where: short stacking energy: -527.433 Base-Backbone interact. energy: -4.127 local terms energy: -634.210721 where: bonds (distance) C4'-P energy: -125.603 bonds (distance) P-C4' energy: -149.190 flat angles C4'-P-C4' energy: -162.396 flat angles P-C4'-P energy: -83.848 tors. eta vs tors. theta energy: -113.174 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: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1114.213509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.213509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.213509 (E_RNA) where: Base-Base interactions energy: -586.481 where: short stacking energy: -338.679 Base-Backbone interact. energy: -3.347 local terms energy: -524.384922 where: bonds (distance) C4'-P energy: -148.129 bonds (distance) P-C4' energy: -130.570 flat angles C4'-P-C4' energy: -155.809 flat angles P-C4'-P energy: -75.023 tors. eta vs tors. theta energy: -14.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -880.827097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.827097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.827097 (E_RNA) where: Base-Base interactions energy: -393.968 where: short stacking energy: -234.988 Base-Backbone interact. energy: 1.701 local terms energy: -488.559941 where: bonds (distance) C4'-P energy: -156.189 bonds (distance) P-C4' energy: -148.825 flat angles C4'-P-C4' energy: -123.398 flat angles P-C4'-P energy: -73.672 tors. eta vs tors. theta energy: 13.524 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: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -739.240452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.240452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.240452 (E_RNA) where: Base-Base interactions energy: -311.396 where: short stacking energy: -207.379 Base-Backbone interact. energy: -3.775 local terms energy: -424.069968 where: bonds (distance) C4'-P energy: -134.675 bonds (distance) P-C4' energy: -135.797 flat angles C4'-P-C4' energy: -104.789 flat angles P-C4'-P energy: -70.096 tors. eta vs tors. theta energy: 21.287 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: 1, replica: 9 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2958.637325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.637325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.637325 (E_RNA) where: Base-Base interactions energy: -2007.893 where: short stacking energy: -876.066 Base-Backbone interact. energy: -4.135 local terms energy: -946.609050 where: bonds (distance) C4'-P energy: -176.099 bonds (distance) P-C4' energy: -166.536 flat angles C4'-P-C4' energy: -218.498 flat angles P-C4'-P energy: -124.629 tors. eta vs tors. theta energy: -260.847 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: 2, replica: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2961.250818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.250818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.250818 (E_RNA) where: Base-Base interactions energy: -2019.481 where: short stacking energy: -838.498 Base-Backbone interact. energy: 0.568 local terms energy: -942.337929 where: bonds (distance) C4'-P energy: -168.009 bonds (distance) P-C4' energy: -177.295 flat angles C4'-P-C4' energy: -201.654 flat angles P-C4'-P energy: -145.937 tors. eta vs tors. theta energy: -249.443 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: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2735.433424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.433424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.433424 (E_RNA) where: Base-Base interactions energy: -1869.101 where: short stacking energy: -778.855 Base-Backbone interact. energy: -2.351 local terms energy: -863.981565 where: bonds (distance) C4'-P energy: -149.892 bonds (distance) P-C4' energy: -158.895 flat angles C4'-P-C4' energy: -190.471 flat angles P-C4'-P energy: -144.194 tors. eta vs tors. theta energy: -220.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2469.226853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.226853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.226853 (E_RNA) where: Base-Base interactions energy: -1637.311 where: short stacking energy: -712.669 Base-Backbone interact. energy: -0.080 local terms energy: -831.835624 where: bonds (distance) C4'-P energy: -153.208 bonds (distance) P-C4' energy: -187.976 flat angles C4'-P-C4' energy: -191.527 flat angles P-C4'-P energy: -107.288 tors. eta vs tors. theta energy: -191.837 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: 5, replica: 10 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2356.279607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.279607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.279607 (E_RNA) where: Base-Base interactions energy: -1552.504 where: short stacking energy: -693.024 Base-Backbone interact. energy: -2.101 local terms energy: -801.674486 where: bonds (distance) C4'-P energy: -165.625 bonds (distance) P-C4' energy: -168.463 flat angles C4'-P-C4' energy: -169.116 flat angles P-C4'-P energy: -106.673 tors. eta vs tors. theta energy: -191.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2083.417735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.417735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.417735 (E_RNA) where: Base-Base interactions energy: -1346.172 where: short stacking energy: -580.425 Base-Backbone interact. energy: 0.469 local terms energy: -737.715193 where: bonds (distance) C4'-P energy: -152.584 bonds (distance) P-C4' energy: -149.821 flat angles C4'-P-C4' energy: -187.736 flat angles P-C4'-P energy: -110.558 tors. eta vs tors. theta energy: -137.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1819.223098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.223098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.223098 (E_RNA) where: Base-Base interactions energy: -1144.404 where: short stacking energy: -497.183 Base-Backbone interact. energy: -2.277 local terms energy: -672.541926 where: bonds (distance) C4'-P energy: -132.707 bonds (distance) P-C4' energy: -160.951 flat angles C4'-P-C4' energy: -160.046 flat angles P-C4'-P energy: -99.030 tors. eta vs tors. theta energy: -119.808 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: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1061.222401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.222401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.222401 (E_RNA) where: Base-Base interactions energy: -511.973 where: short stacking energy: -277.874 Base-Backbone interact. energy: 5.469 local terms energy: -554.718938 where: bonds (distance) C4'-P energy: -137.539 bonds (distance) P-C4' energy: -172.302 flat angles C4'-P-C4' energy: -140.166 flat angles P-C4'-P energy: -95.758 tors. eta vs tors. theta energy: -8.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -899.102010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.102010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.102010 (E_RNA) where: Base-Base interactions energy: -395.716 where: short stacking energy: -222.837 Base-Backbone interact. energy: -1.243 local terms energy: -502.143135 where: bonds (distance) C4'-P energy: -152.372 bonds (distance) P-C4' energy: -155.027 flat angles C4'-P-C4' energy: -144.395 flat angles P-C4'-P energy: -66.359 tors. eta vs tors. theta energy: 16.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -774.916805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.916805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.916805 (E_RNA) where: Base-Base interactions energy: -306.441 where: short stacking energy: -201.036 Base-Backbone interact. energy: 9.074 local terms energy: -477.549935 where: bonds (distance) C4'-P energy: -167.423 bonds (distance) P-C4' energy: -164.826 flat angles C4'-P-C4' energy: -103.298 flat angles P-C4'-P energy: -61.993 tors. eta vs tors. theta energy: 19.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2943.532335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.532335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.532335 (E_RNA) where: Base-Base interactions energy: -1979.867 where: short stacking energy: -869.544 Base-Backbone interact. energy: 2.561 local terms energy: -966.226390 where: bonds (distance) C4'-P energy: -179.024 bonds (distance) P-C4' energy: -174.428 flat angles C4'-P-C4' energy: -202.768 flat angles P-C4'-P energy: -144.863 tors. eta vs tors. theta energy: -265.142 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: 2, replica: 3 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2918.137526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.137526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.137526 (E_RNA) where: Base-Base interactions energy: -1995.323 where: short stacking energy: -844.444 Base-Backbone interact. energy: -5.246 local terms energy: -917.568165 where: bonds (distance) C4'-P energy: -167.780 bonds (distance) P-C4' energy: -161.771 flat angles C4'-P-C4' energy: -204.429 flat angles P-C4'-P energy: -136.211 tors. eta vs tors. theta energy: -247.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2798.172760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.172760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.172760 (E_RNA) where: Base-Base interactions energy: -1915.357 where: short stacking energy: -773.835 Base-Backbone interact. energy: -0.736 local terms energy: -882.079619 where: bonds (distance) C4'-P energy: -148.640 bonds (distance) P-C4' energy: -167.166 flat angles C4'-P-C4' energy: -202.237 flat angles P-C4'-P energy: -133.432 tors. eta vs tors. theta energy: -230.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2497.600540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.600540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.600540 (E_RNA) where: Base-Base interactions energy: -1643.247 where: short stacking energy: -708.297 Base-Backbone interact. energy: 0.153 local terms energy: -854.506548 where: bonds (distance) C4'-P energy: -152.686 bonds (distance) P-C4' energy: -187.551 flat angles C4'-P-C4' energy: -191.721 flat angles P-C4'-P energy: -110.575 tors. eta vs tors. theta energy: -211.974 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: 10 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2348.776596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.776596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.776596 (E_RNA) where: Base-Base interactions energy: -1544.841 where: short stacking energy: -682.173 Base-Backbone interact. energy: -5.035 local terms energy: -798.901082 where: bonds (distance) C4'-P energy: -162.092 bonds (distance) P-C4' energy: -163.983 flat angles C4'-P-C4' energy: -193.957 flat angles P-C4'-P energy: -107.050 tors. eta vs tors. theta energy: -171.819 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: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2010.581791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.581791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.581791 (E_RNA) where: Base-Base interactions energy: -1287.273 where: short stacking energy: -592.974 Base-Backbone interact. energy: -0.866 local terms energy: -722.442341 where: bonds (distance) C4'-P energy: -149.162 bonds (distance) P-C4' energy: -166.488 flat angles C4'-P-C4' energy: -169.074 flat angles P-C4'-P energy: -115.882 tors. eta vs tors. theta energy: -121.836 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: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1787.047256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.047256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.047256 (E_RNA) where: Base-Base interactions energy: -1110.343 where: short stacking energy: -486.452 Base-Backbone interact. energy: -1.098 local terms energy: -675.606203 where: bonds (distance) C4'-P energy: -147.453 bonds (distance) P-C4' energy: -165.174 flat angles C4'-P-C4' energy: -144.447 flat angles P-C4'-P energy: -113.454 tors. eta vs tors. theta energy: -105.078 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: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1075.315258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.315258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.315258 (E_RNA) where: Base-Base interactions energy: -536.001 where: short stacking energy: -292.703 Base-Backbone interact. energy: 5.344 local terms energy: -544.658958 where: bonds (distance) C4'-P energy: -155.405 bonds (distance) P-C4' energy: -150.107 flat angles C4'-P-C4' energy: -148.618 flat angles P-C4'-P energy: -72.811 tors. eta vs tors. theta energy: -17.717 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: 9, replica: 8 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -909.820069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.820069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.820069 (E_RNA) where: Base-Base interactions energy: -384.232 where: short stacking energy: -235.682 Base-Backbone interact. energy: -4.976 local terms energy: -520.611978 where: bonds (distance) C4'-P energy: -150.403 bonds (distance) P-C4' energy: -136.799 flat angles C4'-P-C4' energy: -140.830 flat angles P-C4'-P energy: -98.352 tors. eta vs tors. theta energy: 5.772 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: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -732.716544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.716544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.716544 (E_RNA) where: Base-Base interactions energy: -297.371 where: short stacking energy: -169.093 Base-Backbone interact. energy: 8.598 local terms energy: -443.942949 where: bonds (distance) C4'-P energy: -131.511 bonds (distance) P-C4' energy: -122.870 flat angles C4'-P-C4' energy: -122.236 flat angles P-C4'-P energy: -98.653 tors. eta vs tors. theta energy: 31.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2907.236499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.236499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.236499 (E_RNA) where: Base-Base interactions energy: -1945.322 where: short stacking energy: -866.128 Base-Backbone interact. energy: -3.925 local terms energy: -957.988957 where: bonds (distance) C4'-P energy: -174.448 bonds (distance) P-C4' energy: -189.330 flat angles C4'-P-C4' energy: -208.957 flat angles P-C4'-P energy: -133.310 tors. eta vs tors. theta energy: -251.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2917.990982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.990982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.990982 (E_RNA) where: Base-Base interactions energy: -1981.488 where: short stacking energy: -840.499 Base-Backbone interact. energy: -3.951 local terms energy: -932.552444 where: bonds (distance) C4'-P energy: -175.486 bonds (distance) P-C4' energy: -165.940 flat angles C4'-P-C4' energy: -198.540 flat angles P-C4'-P energy: -140.581 tors. eta vs tors. theta energy: -252.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2752.600711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.600711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.600711 (E_RNA) where: Base-Base interactions energy: -1872.290 where: short stacking energy: -770.772 Base-Backbone interact. energy: -2.973 local terms energy: -877.337704 where: bonds (distance) C4'-P energy: -163.721 bonds (distance) P-C4' energy: -176.620 flat angles C4'-P-C4' energy: -191.098 flat angles P-C4'-P energy: -116.013 tors. eta vs tors. theta energy: -229.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2413.633073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.633073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.633073 (E_RNA) where: Base-Base interactions energy: -1565.792 where: short stacking energy: -702.429 Base-Backbone interact. energy: -3.450 local terms energy: -844.391257 where: bonds (distance) C4'-P energy: -151.996 bonds (distance) P-C4' energy: -182.416 flat angles C4'-P-C4' energy: -179.727 flat angles P-C4'-P energy: -111.848 tors. eta vs tors. theta energy: -218.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2422.179287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.179287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.179287 (E_RNA) where: Base-Base interactions energy: -1584.331 where: short stacking energy: -678.622 Base-Backbone interact. energy: -2.531 local terms energy: -835.317207 where: bonds (distance) C4'-P energy: -166.266 bonds (distance) P-C4' energy: -163.853 flat angles C4'-P-C4' energy: -193.947 flat angles P-C4'-P energy: -114.977 tors. eta vs tors. theta energy: -196.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2010.028308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.028308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.028308 (E_RNA) where: Base-Base interactions energy: -1296.112 where: short stacking energy: -571.297 Base-Backbone interact. energy: -2.572 local terms energy: -711.344346 where: bonds (distance) C4'-P energy: -151.862 bonds (distance) P-C4' energy: -164.677 flat angles C4'-P-C4' energy: -165.213 flat angles P-C4'-P energy: -98.272 tors. eta vs tors. theta energy: -131.320 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: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1720.347706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.347706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.347706 (E_RNA) where: Base-Base interactions energy: -1049.440 where: short stacking energy: -484.635 Base-Backbone interact. energy: -1.218 local terms energy: -669.689485 where: bonds (distance) C4'-P energy: -142.682 bonds (distance) P-C4' energy: -148.336 flat angles C4'-P-C4' energy: -156.840 flat angles P-C4'-P energy: -116.685 tors. eta vs tors. theta energy: -105.146 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: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1052.649703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.649703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.649703 (E_RNA) where: Base-Base interactions energy: -543.125 where: short stacking energy: -285.656 Base-Backbone interact. energy: -5.696 local terms energy: -503.829339 where: bonds (distance) C4'-P energy: -136.343 bonds (distance) P-C4' energy: -164.342 flat angles C4'-P-C4' energy: -135.861 flat angles P-C4'-P energy: -63.513 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -867.848060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.848060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.848060 (E_RNA) where: Base-Base interactions energy: -391.069 where: short stacking energy: -216.179 Base-Backbone interact. energy: 1.262 local terms energy: -478.040921 where: bonds (distance) C4'-P energy: -156.176 bonds (distance) P-C4' energy: -164.467 flat angles C4'-P-C4' energy: -114.736 flat angles P-C4'-P energy: -67.898 tors. eta vs tors. theta energy: 25.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -741.109482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.109482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.109482 (E_RNA) where: Base-Base interactions energy: -295.141 where: short stacking energy: -192.745 Base-Backbone interact. energy: 0.714 local terms energy: -446.681712 where: bonds (distance) C4'-P energy: -116.794 bonds (distance) P-C4' energy: -152.688 flat angles C4'-P-C4' energy: -137.171 flat angles P-C4'-P energy: -83.424 tors. eta vs tors. theta energy: 43.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2965.388264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.388264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.388264 (E_RNA) where: Base-Base interactions energy: -1993.654 where: short stacking energy: -830.269 Base-Backbone interact. energy: -2.570 local terms energy: -969.164514 where: bonds (distance) C4'-P energy: -201.606 bonds (distance) P-C4' energy: -170.059 flat angles C4'-P-C4' energy: -213.050 flat angles P-C4'-P energy: -135.913 tors. eta vs tors. theta energy: -248.538 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: 230 Temperature: 0.950000 Total energy: -2878.231130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.231130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.231130 (E_RNA) where: Base-Base interactions energy: -1944.932 where: short stacking energy: -836.607 Base-Backbone interact. energy: 1.236 local terms energy: -934.534859 where: bonds (distance) C4'-P energy: -177.901 bonds (distance) P-C4' energy: -187.025 flat angles C4'-P-C4' energy: -196.258 flat angles P-C4'-P energy: -127.036 tors. eta vs tors. theta energy: -246.315 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: 3, replica: 6 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2786.248634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.248634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.248634 (E_RNA) where: Base-Base interactions energy: -1873.708 where: short stacking energy: -799.272 Base-Backbone interact. energy: 1.676 local terms energy: -914.216896 where: bonds (distance) C4'-P energy: -167.892 bonds (distance) P-C4' energy: -176.656 flat angles C4'-P-C4' energy: -200.762 flat angles P-C4'-P energy: -132.610 tors. eta vs tors. theta energy: -236.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2452.619418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.619418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.619418 (E_RNA) where: Base-Base interactions energy: -1589.609 where: short stacking energy: -697.851 Base-Backbone interact. energy: -3.145 local terms energy: -859.865361 where: bonds (distance) C4'-P energy: -163.619 bonds (distance) P-C4' energy: -162.400 flat angles C4'-P-C4' energy: -199.526 flat angles P-C4'-P energy: -137.247 tors. eta vs tors. theta energy: -197.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2317.125181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.125181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.125181 (E_RNA) where: Base-Base interactions energy: -1553.322 where: short stacking energy: -641.548 Base-Backbone interact. energy: 8.441 local terms energy: -772.244361 where: bonds (distance) C4'-P energy: -159.425 bonds (distance) P-C4' energy: -144.445 flat angles C4'-P-C4' energy: -179.693 flat angles P-C4'-P energy: -124.825 tors. eta vs tors. theta energy: -163.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2001.818970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.818970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.818970 (E_RNA) where: Base-Base interactions energy: -1314.541 where: short stacking energy: -588.029 Base-Backbone interact. energy: -2.328 local terms energy: -684.949977 where: bonds (distance) C4'-P energy: -134.954 bonds (distance) P-C4' energy: -145.629 flat angles C4'-P-C4' energy: -157.527 flat angles P-C4'-P energy: -87.832 tors. eta vs tors. theta energy: -159.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1762.259235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.259235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.259235 (E_RNA) where: Base-Base interactions energy: -1093.193 where: short stacking energy: -466.973 Base-Backbone interact. energy: -1.736 local terms energy: -667.330413 where: bonds (distance) C4'-P energy: -178.954 bonds (distance) P-C4' energy: -157.819 flat angles C4'-P-C4' energy: -145.781 flat angles P-C4'-P energy: -100.714 tors. eta vs tors. theta energy: -84.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1074.552635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.552635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.552635 (E_RNA) where: Base-Base interactions energy: -560.739 where: short stacking energy: -306.862 Base-Backbone interact. energy: 9.432 local terms energy: -523.246039 where: bonds (distance) C4'-P energy: -150.777 bonds (distance) P-C4' energy: -149.394 flat angles C4'-P-C4' energy: -132.340 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -12.563 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: 9, replica: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -850.077107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.077107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.077107 (E_RNA) where: Base-Base interactions energy: -387.622 where: short stacking energy: -208.971 Base-Backbone interact. energy: -3.736 local terms energy: -458.719425 where: bonds (distance) C4'-P energy: -146.716 bonds (distance) P-C4' energy: -146.857 flat angles C4'-P-C4' energy: -104.820 flat angles P-C4'-P energy: -92.743 tors. eta vs tors. theta energy: 32.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -710.709350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.709350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.709350 (E_RNA) where: Base-Base interactions energy: -274.437 where: short stacking energy: -186.116 Base-Backbone interact. energy: -3.000 local terms energy: -433.272008 where: bonds (distance) C4'-P energy: -134.896 bonds (distance) P-C4' energy: -158.734 flat angles C4'-P-C4' energy: -122.318 flat angles P-C4'-P energy: -67.213 tors. eta vs tors. theta energy: 49.888 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: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2991.990080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.990080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.990080 (E_RNA) where: Base-Base interactions energy: -2022.909 where: short stacking energy: -877.066 Base-Backbone interact. energy: -5.401 local terms energy: -963.680405 where: bonds (distance) C4'-P energy: -169.179 bonds (distance) P-C4' energy: -178.072 flat angles C4'-P-C4' energy: -221.584 flat angles P-C4'-P energy: -138.109 tors. eta vs tors. theta energy: -256.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2847.943392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.943392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.943392 (E_RNA) where: Base-Base interactions energy: -1947.746 where: short stacking energy: -792.447 Base-Backbone interact. energy: -3.904 local terms energy: -896.293098 where: bonds (distance) C4'-P energy: -178.237 bonds (distance) P-C4' energy: -167.200 flat angles C4'-P-C4' energy: -186.790 flat angles P-C4'-P energy: -125.062 tors. eta vs tors. theta energy: -239.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2758.574251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.574251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.574251 (E_RNA) where: Base-Base interactions energy: -1861.699 where: short stacking energy: -807.507 Base-Backbone interact. energy: 0.076 local terms energy: -896.950646 where: bonds (distance) C4'-P energy: -134.184 bonds (distance) P-C4' energy: -191.923 flat angles C4'-P-C4' energy: -183.365 flat angles P-C4'-P energy: -137.323 tors. eta vs tors. theta energy: -250.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2486.038345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.038345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.038345 (E_RNA) where: Base-Base interactions energy: -1642.787 where: short stacking energy: -683.322 Base-Backbone interact. energy: 1.045 local terms energy: -844.296583 where: bonds (distance) C4'-P energy: -193.884 bonds (distance) P-C4' energy: -174.190 flat angles C4'-P-C4' energy: -179.744 flat angles P-C4'-P energy: -109.879 tors. eta vs tors. theta energy: -186.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2287.982854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.982854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.982854 (E_RNA) where: Base-Base interactions energy: -1520.048 where: short stacking energy: -623.622 Base-Backbone interact. energy: -0.850 local terms energy: -767.084464 where: bonds (distance) C4'-P energy: -144.564 bonds (distance) P-C4' energy: -162.600 flat angles C4'-P-C4' energy: -171.865 flat angles P-C4'-P energy: -123.063 tors. eta vs tors. theta energy: -164.993 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: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2054.405555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.405555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.405555 (E_RNA) where: Base-Base interactions energy: -1332.929 where: short stacking energy: -589.462 Base-Backbone interact. energy: 2.568 local terms energy: -724.044781 where: bonds (distance) C4'-P energy: -161.366 bonds (distance) P-C4' energy: -168.564 flat angles C4'-P-C4' energy: -164.135 flat angles P-C4'-P energy: -95.807 tors. eta vs tors. theta energy: -134.172 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: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1837.635174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.635174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.635174 (E_RNA) where: Base-Base interactions energy: -1214.575 where: short stacking energy: -541.830 Base-Backbone interact. energy: 4.214 local terms energy: -627.273735 where: bonds (distance) C4'-P energy: -131.076 bonds (distance) P-C4' energy: -141.892 flat angles C4'-P-C4' energy: -158.149 flat angles P-C4'-P energy: -83.135 tors. eta vs tors. theta energy: -113.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1097.524390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.524390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.524390 (E_RNA) where: Base-Base interactions energy: -534.657 where: short stacking energy: -300.339 Base-Backbone interact. energy: 3.781 local terms energy: -566.647996 where: bonds (distance) C4'-P energy: -148.167 bonds (distance) P-C4' energy: -164.822 flat angles C4'-P-C4' energy: -132.708 flat angles P-C4'-P energy: -76.622 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: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -947.208168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.208168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.208168 (E_RNA) where: Base-Base interactions energy: -439.607 where: short stacking energy: -234.543 Base-Backbone interact. energy: 5.397 local terms energy: -512.997688 where: bonds (distance) C4'-P energy: -150.919 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -119.395 flat angles P-C4'-P energy: -91.155 tors. eta vs tors. theta energy: 5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -760.614353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.614353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.614353 (E_RNA) where: Base-Base interactions energy: -282.642 where: short stacking energy: -199.708 Base-Backbone interact. energy: -2.130 local terms energy: -475.842469 where: bonds (distance) C4'-P energy: -154.339 bonds (distance) P-C4' energy: -154.100 flat angles C4'-P-C4' energy: -113.738 flat angles P-C4'-P energy: -74.893 tors. eta vs tors. theta energy: 21.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2987.598218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.598218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.598218 (E_RNA) where: Base-Base interactions energy: -2027.173 where: short stacking energy: -840.352 Base-Backbone interact. energy: -2.791 local terms energy: -957.634122 where: bonds (distance) C4'-P energy: -179.717 bonds (distance) P-C4' energy: -187.741 flat angles C4'-P-C4' energy: -206.091 flat angles P-C4'-P energy: -132.043 tors. eta vs tors. theta energy: -252.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2855.252662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.252662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.252662 (E_RNA) where: Base-Base interactions energy: -1892.531 where: short stacking energy: -786.806 Base-Backbone interact. energy: -0.364 local terms energy: -962.358229 where: bonds (distance) C4'-P energy: -176.159 bonds (distance) P-C4' energy: -191.044 flat angles C4'-P-C4' energy: -218.320 flat angles P-C4'-P energy: -136.564 tors. eta vs tors. theta energy: -240.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2712.926558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.926558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.926558 (E_RNA) where: Base-Base interactions energy: -1806.935 where: short stacking energy: -767.853 Base-Backbone interact. energy: -1.419 local terms energy: -904.572645 where: bonds (distance) C4'-P energy: -166.356 bonds (distance) P-C4' energy: -186.593 flat angles C4'-P-C4' energy: -196.744 flat angles P-C4'-P energy: -134.254 tors. eta vs tors. theta energy: -220.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2494.949300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.949300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.949300 (E_RNA) where: Base-Base interactions energy: -1659.610 where: short stacking energy: -725.908 Base-Backbone interact. energy: 1.424 local terms energy: -836.762884 where: bonds (distance) C4'-P energy: -178.437 bonds (distance) P-C4' energy: -173.784 flat angles C4'-P-C4' energy: -174.644 flat angles P-C4'-P energy: -102.325 tors. eta vs tors. theta energy: -207.574 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: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2281.968827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.968827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.968827 (E_RNA) where: Base-Base interactions energy: -1490.549 where: short stacking energy: -620.477 Base-Backbone interact. energy: -2.932 local terms energy: -788.488174 where: bonds (distance) C4'-P energy: -171.146 bonds (distance) P-C4' energy: -164.568 flat angles C4'-P-C4' energy: -164.014 flat angles P-C4'-P energy: -129.644 tors. eta vs tors. theta energy: -159.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2079.769953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.769953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.769953 (E_RNA) where: Base-Base interactions energy: -1337.302 where: short stacking energy: -590.990 Base-Backbone interact. energy: -0.008 local terms energy: -742.460485 where: bonds (distance) C4'-P energy: -159.736 bonds (distance) P-C4' energy: -151.149 flat angles C4'-P-C4' energy: -174.777 flat angles P-C4'-P energy: -120.668 tors. eta vs tors. theta energy: -136.131 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: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1787.008496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.008496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.008496 (E_RNA) where: Base-Base interactions energy: -1110.024 where: short stacking energy: -469.574 Base-Backbone interact. energy: 4.152 local terms energy: -681.136906 where: bonds (distance) C4'-P energy: -169.654 bonds (distance) P-C4' energy: -169.585 flat angles C4'-P-C4' energy: -153.768 flat angles P-C4'-P energy: -92.880 tors. eta vs tors. theta energy: -95.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1008.964550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.964550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.964550 (E_RNA) where: Base-Base interactions energy: -493.647 where: short stacking energy: -267.961 Base-Backbone interact. energy: 0.054 local terms energy: -515.371673 where: bonds (distance) C4'-P energy: -144.649 bonds (distance) P-C4' energy: -132.948 flat angles C4'-P-C4' energy: -135.569 flat angles P-C4'-P energy: -82.319 tors. eta vs tors. theta energy: -19.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -864.590979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.590979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.590979 (E_RNA) where: Base-Base interactions energy: -405.816 where: short stacking energy: -237.167 Base-Backbone interact. energy: -1.899 local terms energy: -456.876245 where: bonds (distance) C4'-P energy: -142.317 bonds (distance) P-C4' energy: -142.396 flat angles C4'-P-C4' energy: -128.427 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: 18.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -751.224110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.224110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.224110 (E_RNA) where: Base-Base interactions energy: -313.409 where: short stacking energy: -206.464 Base-Backbone interact. energy: 4.368 local terms energy: -442.182991 where: bonds (distance) C4'-P energy: -126.176 bonds (distance) P-C4' energy: -139.741 flat angles C4'-P-C4' energy: -126.306 flat angles P-C4'-P energy: -82.556 tors. eta vs tors. theta energy: 32.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3039.757212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.757212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.757212 (E_RNA) where: Base-Base interactions energy: -2070.153 where: short stacking energy: -853.416 Base-Backbone interact. energy: -3.308 local terms energy: -966.296984 where: bonds (distance) C4'-P energy: -182.366 bonds (distance) P-C4' energy: -179.243 flat angles C4'-P-C4' energy: -213.958 flat angles P-C4'-P energy: -139.114 tors. eta vs tors. theta energy: -251.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2863.164697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.164697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.164697 (E_RNA) where: Base-Base interactions energy: -1983.122 where: short stacking energy: -836.311 Base-Backbone interact. energy: -3.850 local terms energy: -876.192581 where: bonds (distance) C4'-P energy: -166.262 bonds (distance) P-C4' energy: -167.328 flat angles C4'-P-C4' energy: -183.060 flat angles P-C4'-P energy: -125.123 tors. eta vs tors. theta energy: -234.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2697.696529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.696529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.696529 (E_RNA) where: Base-Base interactions energy: -1804.528 where: short stacking energy: -779.162 Base-Backbone interact. energy: -6.778 local terms energy: -886.389951 where: bonds (distance) C4'-P energy: -159.664 bonds (distance) P-C4' energy: -174.999 flat angles C4'-P-C4' energy: -199.338 flat angles P-C4'-P energy: -121.813 tors. eta vs tors. theta energy: -230.576 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: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2482.756322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.756322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.756322 (E_RNA) where: Base-Base interactions energy: -1650.345 where: short stacking energy: -715.414 Base-Backbone interact. energy: -2.913 local terms energy: -829.497747 where: bonds (distance) C4'-P energy: -173.193 bonds (distance) P-C4' energy: -148.037 flat angles C4'-P-C4' energy: -185.971 flat angles P-C4'-P energy: -111.464 tors. eta vs tors. theta energy: -210.833 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: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2335.321617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.321617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.321617 (E_RNA) where: Base-Base interactions energy: -1549.523 where: short stacking energy: -643.378 Base-Backbone interact. energy: 1.339 local terms energy: -787.137548 where: bonds (distance) C4'-P energy: -150.868 bonds (distance) P-C4' energy: -167.314 flat angles C4'-P-C4' energy: -195.070 flat angles P-C4'-P energy: -103.688 tors. eta vs tors. theta energy: -170.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2108.885592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.885592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.885592 (E_RNA) where: Base-Base interactions energy: -1394.389 where: short stacking energy: -587.887 Base-Backbone interact. energy: -3.486 local terms energy: -711.011011 where: bonds (distance) C4'-P energy: -137.374 bonds (distance) P-C4' energy: -161.631 flat angles C4'-P-C4' energy: -166.289 flat angles P-C4'-P energy: -107.513 tors. eta vs tors. theta energy: -138.204 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: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1801.928194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.928194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.928194 (E_RNA) where: Base-Base interactions energy: -1107.217 where: short stacking energy: -497.530 Base-Backbone interact. energy: -0.099 local terms energy: -694.612863 where: bonds (distance) C4'-P energy: -156.839 bonds (distance) P-C4' energy: -171.477 flat angles C4'-P-C4' energy: -153.096 flat angles P-C4'-P energy: -110.678 tors. eta vs tors. theta energy: -102.522 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: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1025.044799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.044799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.044799 (E_RNA) where: Base-Base interactions energy: -480.320 where: short stacking energy: -255.235 Base-Backbone interact. energy: -0.357 local terms energy: -544.367822 where: bonds (distance) C4'-P energy: -161.529 bonds (distance) P-C4' energy: -154.228 flat angles C4'-P-C4' energy: -146.136 flat angles P-C4'-P energy: -83.995 tors. eta vs tors. theta energy: 1.521 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: 233 Temperature: 1.300000 Total energy: -890.763264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.763264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.763264 (E_RNA) where: Base-Base interactions energy: -354.882 where: short stacking energy: -217.745 Base-Backbone interact. energy: -3.236 local terms energy: -532.645241 where: bonds (distance) C4'-P energy: -151.499 bonds (distance) P-C4' energy: -162.676 flat angles C4'-P-C4' energy: -140.696 flat angles P-C4'-P energy: -75.342 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -738.731931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.731931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.731931 (E_RNA) where: Base-Base interactions energy: -292.635 where: short stacking energy: -174.723 Base-Backbone interact. energy: -2.525 local terms energy: -443.571925 where: bonds (distance) C4'-P energy: -150.784 bonds (distance) P-C4' energy: -156.332 flat angles C4'-P-C4' energy: -130.743 flat angles P-C4'-P energy: -46.439 tors. eta vs tors. theta energy: 40.727 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: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3021.292002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.292002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.292002 (E_RNA) where: Base-Base interactions energy: -2028.018 where: short stacking energy: -846.553 Base-Backbone interact. energy: -7.035 local terms energy: -986.239291 where: bonds (distance) C4'-P energy: -194.385 bonds (distance) P-C4' energy: -183.406 flat angles C4'-P-C4' energy: -208.443 flat angles P-C4'-P energy: -142.410 tors. eta vs tors. theta energy: -257.595 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: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2845.426716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.426716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.426716 (E_RNA) where: Base-Base interactions energy: -1953.090 where: short stacking energy: -776.803 Base-Backbone interact. energy: -4.544 local terms energy: -887.792985 where: bonds (distance) C4'-P energy: -176.212 bonds (distance) P-C4' energy: -159.640 flat angles C4'-P-C4' energy: -186.098 flat angles P-C4'-P energy: -141.563 tors. eta vs tors. theta energy: -224.280 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: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2696.651312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.651312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.651312 (E_RNA) where: Base-Base interactions energy: -1806.063 where: short stacking energy: -768.940 Base-Backbone interact. energy: -4.284 local terms energy: -886.304374 where: bonds (distance) C4'-P energy: -145.457 bonds (distance) P-C4' energy: -162.814 flat angles C4'-P-C4' energy: -207.752 flat angles P-C4'-P energy: -137.292 tors. eta vs tors. theta energy: -232.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2505.314606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.314606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.314606 (E_RNA) where: Base-Base interactions energy: -1636.852 where: short stacking energy: -694.727 Base-Backbone interact. energy: 0.811 local terms energy: -869.273747 where: bonds (distance) C4'-P energy: -154.387 bonds (distance) P-C4' energy: -190.063 flat angles C4'-P-C4' energy: -201.149 flat angles P-C4'-P energy: -125.825 tors. eta vs tors. theta energy: -197.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2316.263414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.263414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.263414 (E_RNA) where: Base-Base interactions energy: -1552.502 where: short stacking energy: -671.774 Base-Backbone interact. energy: -0.119 local terms energy: -763.642679 where: bonds (distance) C4'-P energy: -143.668 bonds (distance) P-C4' energy: -167.097 flat angles C4'-P-C4' energy: -180.842 flat angles P-C4'-P energy: -105.365 tors. eta vs tors. theta energy: -166.671 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: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2174.435854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.435854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.435854 (E_RNA) where: Base-Base interactions energy: -1408.422 where: short stacking energy: -596.514 Base-Backbone interact. energy: -0.489 local terms energy: -765.525495 where: bonds (distance) C4'-P energy: -167.257 bonds (distance) P-C4' energy: -159.545 flat angles C4'-P-C4' energy: -176.587 flat angles P-C4'-P energy: -106.278 tors. eta vs tors. theta energy: -155.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1859.863781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.863781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.863781 (E_RNA) where: Base-Base interactions energy: -1160.406 where: short stacking energy: -511.696 Base-Backbone interact. energy: 0.023 local terms energy: -699.481072 where: bonds (distance) C4'-P energy: -166.396 bonds (distance) P-C4' energy: -155.536 flat angles C4'-P-C4' energy: -165.630 flat angles P-C4'-P energy: -83.589 tors. eta vs tors. theta energy: -128.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1122.497878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.497878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.497878 (E_RNA) where: Base-Base interactions energy: -593.427 where: short stacking energy: -313.080 Base-Backbone interact. energy: 8.143 local terms energy: -537.213683 where: bonds (distance) C4'-P energy: -142.358 bonds (distance) P-C4' energy: -151.927 flat angles C4'-P-C4' energy: -148.639 flat angles P-C4'-P energy: -67.771 tors. eta vs tors. theta energy: -26.517 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: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -826.828419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.828419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.828419 (E_RNA) where: Base-Base interactions energy: -354.825 where: short stacking energy: -239.057 Base-Backbone interact. energy: 4.278 local terms energy: -476.281530 where: bonds (distance) C4'-P energy: -142.280 bonds (distance) P-C4' energy: -137.614 flat angles C4'-P-C4' energy: -148.464 flat angles P-C4'-P energy: -81.226 tors. eta vs tors. theta energy: 33.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -748.554986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.554986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.554986 (E_RNA) where: Base-Base interactions energy: -303.385 where: short stacking energy: -213.135 Base-Backbone interact. energy: 4.957 local terms energy: -450.126941 where: bonds (distance) C4'-P energy: -129.004 bonds (distance) P-C4' energy: -141.536 flat angles C4'-P-C4' energy: -126.646 flat angles P-C4'-P energy: -67.481 tors. eta vs tors. theta energy: 14.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3023.264073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.264073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.264073 (E_RNA) where: Base-Base interactions energy: -2052.732 where: short stacking energy: -862.737 Base-Backbone interact. energy: -2.786 local terms energy: -967.746688 where: bonds (distance) C4'-P energy: -168.865 bonds (distance) P-C4' energy: -184.602 flat angles C4'-P-C4' energy: -221.902 flat angles P-C4'-P energy: -129.390 tors. eta vs tors. theta energy: -262.988 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: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2834.579500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.579500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.579500 (E_RNA) where: Base-Base interactions energy: -1915.354 where: short stacking energy: -775.026 Base-Backbone interact. energy: 3.492 local terms energy: -922.716950 where: bonds (distance) C4'-P energy: -175.902 bonds (distance) P-C4' energy: -200.149 flat angles C4'-P-C4' energy: -183.783 flat angles P-C4'-P energy: -131.053 tors. eta vs tors. theta energy: -231.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2703.870371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.870371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.870371 (E_RNA) where: Base-Base interactions energy: -1840.341 where: short stacking energy: -789.921 Base-Backbone interact. energy: -3.847 local terms energy: -859.682473 where: bonds (distance) C4'-P energy: -156.239 bonds (distance) P-C4' energy: -155.806 flat angles C4'-P-C4' energy: -194.492 flat angles P-C4'-P energy: -128.567 tors. eta vs tors. theta energy: -224.579 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: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2483.184775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.184775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.184775 (E_RNA) where: Base-Base interactions energy: -1659.604 where: short stacking energy: -714.746 Base-Backbone interact. energy: -3.905 local terms energy: -819.675741 where: bonds (distance) C4'-P energy: -156.341 bonds (distance) P-C4' energy: -146.724 flat angles C4'-P-C4' energy: -200.875 flat angles P-C4'-P energy: -110.684 tors. eta vs tors. theta energy: -205.052 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: 10 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2327.579992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.579992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.579992 (E_RNA) where: Base-Base interactions energy: -1526.593 where: short stacking energy: -633.357 Base-Backbone interact. energy: -2.001 local terms energy: -798.986290 where: bonds (distance) C4'-P energy: -157.673 bonds (distance) P-C4' energy: -164.662 flat angles C4'-P-C4' energy: -185.237 flat angles P-C4'-P energy: -106.817 tors. eta vs tors. theta energy: -184.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2237.389002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.389002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.389002 (E_RNA) where: Base-Base interactions energy: -1488.753 where: short stacking energy: -636.730 Base-Backbone interact. energy: -2.218 local terms energy: -746.417789 where: bonds (distance) C4'-P energy: -152.203 bonds (distance) P-C4' energy: -159.457 flat angles C4'-P-C4' energy: -180.162 flat angles P-C4'-P energy: -90.405 tors. eta vs tors. theta energy: -164.191 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: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1784.532066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.532066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.532066 (E_RNA) where: Base-Base interactions energy: -1109.701 where: short stacking energy: -485.871 Base-Backbone interact. energy: 1.326 local terms energy: -676.157314 where: bonds (distance) C4'-P energy: -148.834 bonds (distance) P-C4' energy: -148.325 flat angles C4'-P-C4' energy: -163.443 flat angles P-C4'-P energy: -100.804 tors. eta vs tors. theta energy: -114.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1191.127539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.127539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.127539 (E_RNA) where: Base-Base interactions energy: -603.439 where: short stacking energy: -314.785 Base-Backbone interact. energy: -1.392 local terms energy: -586.296004 where: bonds (distance) C4'-P energy: -156.631 bonds (distance) P-C4' energy: -165.424 flat angles C4'-P-C4' energy: -141.524 flat angles P-C4'-P energy: -82.893 tors. eta vs tors. theta energy: -39.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -902.739643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.739643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.739643 (E_RNA) where: Base-Base interactions energy: -401.026 where: short stacking energy: -216.399 Base-Backbone interact. energy: -1.201 local terms energy: -500.513030 where: bonds (distance) C4'-P energy: -147.704 bonds (distance) P-C4' energy: -155.242 flat angles C4'-P-C4' energy: -134.975 flat angles P-C4'-P energy: -74.557 tors. eta vs tors. theta energy: 11.965 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: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -740.897422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.897422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.897422 (E_RNA) where: Base-Base interactions energy: -277.210 where: short stacking energy: -185.244 Base-Backbone interact. energy: 0.630 local terms energy: -464.316857 where: bonds (distance) C4'-P energy: -153.131 bonds (distance) P-C4' energy: -134.619 flat angles C4'-P-C4' energy: -124.755 flat angles P-C4'-P energy: -81.888 tors. eta vs tors. theta energy: 30.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3035.841595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.841595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.841595 (E_RNA) where: Base-Base interactions energy: -2082.169 where: short stacking energy: -875.746 Base-Backbone interact. energy: 5.195 local terms energy: -958.867692 where: bonds (distance) C4'-P energy: -188.348 bonds (distance) P-C4' energy: -176.239 flat angles C4'-P-C4' energy: -208.019 flat angles P-C4'-P energy: -128.994 tors. eta vs tors. theta energy: -257.268 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: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2857.539354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.539354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.539354 (E_RNA) where: Base-Base interactions energy: -1961.059 where: short stacking energy: -803.441 Base-Backbone interact. energy: 0.946 local terms energy: -897.425877 where: bonds (distance) C4'-P energy: -151.920 bonds (distance) P-C4' energy: -180.815 flat angles C4'-P-C4' energy: -200.899 flat angles P-C4'-P energy: -131.030 tors. eta vs tors. theta energy: -232.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2687.617423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.617423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.617423 (E_RNA) where: Base-Base interactions energy: -1803.942 where: short stacking energy: -789.515 Base-Backbone interact. energy: -2.715 local terms energy: -880.960524 where: bonds (distance) C4'-P energy: -171.096 bonds (distance) P-C4' energy: -165.377 flat angles C4'-P-C4' energy: -201.953 flat angles P-C4'-P energy: -123.468 tors. eta vs tors. theta energy: -219.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2534.411952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.411952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.411952 (E_RNA) where: Base-Base interactions energy: -1686.718 where: short stacking energy: -733.021 Base-Backbone interact. energy: -6.132 local terms energy: -841.562214 where: bonds (distance) C4'-P energy: -172.353 bonds (distance) P-C4' energy: -158.764 flat angles C4'-P-C4' energy: -169.418 flat angles P-C4'-P energy: -125.131 tors. eta vs tors. theta energy: -215.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2311.971798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.971798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.971798 (E_RNA) where: Base-Base interactions energy: -1498.552 where: short stacking energy: -664.645 Base-Backbone interact. energy: 2.493 local terms energy: -815.912375 where: bonds (distance) C4'-P energy: -174.840 bonds (distance) P-C4' energy: -176.308 flat angles C4'-P-C4' energy: -175.989 flat angles P-C4'-P energy: -117.814 tors. eta vs tors. theta energy: -170.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2193.384397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.384397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.384397 (E_RNA) where: Base-Base interactions energy: -1423.892 where: short stacking energy: -605.178 Base-Backbone interact. energy: -4.512 local terms energy: -764.980584 where: bonds (distance) C4'-P energy: -150.045 bonds (distance) P-C4' energy: -172.236 flat angles C4'-P-C4' energy: -162.384 flat angles P-C4'-P energy: -100.168 tors. eta vs tors. theta energy: -180.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1683.111906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.111906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.111906 (E_RNA) where: Base-Base interactions energy: -1039.593 where: short stacking energy: -454.319 Base-Backbone interact. energy: -1.253 local terms energy: -642.265497 where: bonds (distance) C4'-P energy: -147.297 bonds (distance) P-C4' energy: -135.862 flat angles C4'-P-C4' energy: -137.925 flat angles P-C4'-P energy: -106.703 tors. eta vs tors. theta energy: -114.479 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: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1117.112063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.112063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.112063 (E_RNA) where: Base-Base interactions energy: -576.270 where: short stacking energy: -294.814 Base-Backbone interact. energy: 13.992 local terms energy: -554.833786 where: bonds (distance) C4'-P energy: -148.909 bonds (distance) P-C4' energy: -149.881 flat angles C4'-P-C4' energy: -152.781 flat angles P-C4'-P energy: -93.603 tors. eta vs tors. theta energy: -9.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -881.686676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.686676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.686676 (E_RNA) where: Base-Base interactions energy: -396.482 where: short stacking energy: -235.009 Base-Backbone interact. energy: 4.128 local terms energy: -489.333015 where: bonds (distance) C4'-P energy: -142.005 bonds (distance) P-C4' energy: -158.939 flat angles C4'-P-C4' energy: -120.705 flat angles P-C4'-P energy: -78.718 tors. eta vs tors. theta energy: 11.035 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: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -723.033667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.033667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.033667 (E_RNA) where: Base-Base interactions energy: -289.298 where: short stacking energy: -199.623 Base-Backbone interact. energy: -0.691 local terms energy: -433.044268 where: bonds (distance) C4'-P energy: -108.594 bonds (distance) P-C4' energy: -147.420 flat angles C4'-P-C4' energy: -121.854 flat angles P-C4'-P energy: -76.783 tors. eta vs tors. theta energy: 21.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3069.794089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.794089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.794089 (E_RNA) where: Base-Base interactions energy: -2106.300 where: short stacking energy: -834.977 Base-Backbone interact. energy: -4.584 local terms energy: -958.909998 where: bonds (distance) C4'-P energy: -180.363 bonds (distance) P-C4' energy: -177.186 flat angles C4'-P-C4' energy: -199.051 flat angles P-C4'-P energy: -148.459 tors. eta vs tors. theta energy: -253.851 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: 6 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2922.616782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.616782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.616782 (E_RNA) where: Base-Base interactions energy: -1997.599 where: short stacking energy: -796.872 Base-Backbone interact. energy: -3.329 local terms energy: -921.688350 where: bonds (distance) C4'-P energy: -172.262 bonds (distance) P-C4' energy: -172.989 flat angles C4'-P-C4' energy: -186.465 flat angles P-C4'-P energy: -145.716 tors. eta vs tors. theta energy: -244.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2670.459832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.459832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.459832 (E_RNA) where: Base-Base interactions energy: -1788.586 where: short stacking energy: -769.154 Base-Backbone interact. energy: -3.289 local terms energy: -878.584942 where: bonds (distance) C4'-P energy: -165.786 bonds (distance) P-C4' energy: -182.275 flat angles C4'-P-C4' energy: -184.885 flat angles P-C4'-P energy: -130.573 tors. eta vs tors. theta energy: -215.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2484.068390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.068390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.068390 (E_RNA) where: Base-Base interactions energy: -1637.230 where: short stacking energy: -706.254 Base-Backbone interact. energy: 1.203 local terms energy: -848.041569 where: bonds (distance) C4'-P energy: -164.731 bonds (distance) P-C4' energy: -164.284 flat angles C4'-P-C4' energy: -183.323 flat angles P-C4'-P energy: -133.793 tors. eta vs tors. theta energy: -201.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2309.194097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.194097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.194097 (E_RNA) where: Base-Base interactions energy: -1512.123 where: short stacking energy: -666.517 Base-Backbone interact. energy: -0.571 local terms energy: -796.500162 where: bonds (distance) C4'-P energy: -171.050 bonds (distance) P-C4' energy: -162.231 flat angles C4'-P-C4' energy: -174.666 flat angles P-C4'-P energy: -129.065 tors. eta vs tors. theta energy: -159.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2218.173073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.173073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.173073 (E_RNA) where: Base-Base interactions energy: -1478.879 where: short stacking energy: -654.729 Base-Backbone interact. energy: -3.740 local terms energy: -735.554471 where: bonds (distance) C4'-P energy: -145.353 bonds (distance) P-C4' energy: -151.796 flat angles C4'-P-C4' energy: -167.325 flat angles P-C4'-P energy: -109.283 tors. eta vs tors. theta energy: -161.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1669.043812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.043812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.043812 (E_RNA) where: Base-Base interactions energy: -1052.313 where: short stacking energy: -445.389 Base-Backbone interact. energy: -1.780 local terms energy: -614.951368 where: bonds (distance) C4'-P energy: -138.832 bonds (distance) P-C4' energy: -160.850 flat angles C4'-P-C4' energy: -162.646 flat angles P-C4'-P energy: -72.689 tors. eta vs tors. theta energy: -79.935 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: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1156.904055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.904055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.904055 (E_RNA) where: Base-Base interactions energy: -580.649 where: short stacking energy: -296.441 Base-Backbone interact. energy: 1.320 local terms energy: -577.575801 where: bonds (distance) C4'-P energy: -147.955 bonds (distance) P-C4' energy: -170.406 flat angles C4'-P-C4' energy: -147.309 flat angles P-C4'-P energy: -89.967 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: 9, replica: 8 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -882.242389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.242389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.242389 (E_RNA) where: Base-Base interactions energy: -389.701 where: short stacking energy: -237.023 Base-Backbone interact. energy: -3.333 local terms energy: -489.208187 where: bonds (distance) C4'-P energy: -141.710 bonds (distance) P-C4' energy: -148.374 flat angles C4'-P-C4' energy: -146.729 flat angles P-C4'-P energy: -56.989 tors. eta vs tors. theta energy: 4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -757.359839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.359839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.359839 (E_RNA) where: Base-Base interactions energy: -306.522 where: short stacking energy: -180.516 Base-Backbone interact. energy: 12.505 local terms energy: -463.342889 where: bonds (distance) C4'-P energy: -151.337 bonds (distance) P-C4' energy: -142.985 flat angles C4'-P-C4' energy: -118.120 flat angles P-C4'-P energy: -74.316 tors. eta vs tors. theta energy: 23.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3013.925880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.925880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.925880 (E_RNA) where: Base-Base interactions energy: -2043.752 where: short stacking energy: -840.820 Base-Backbone interact. energy: -1.033 local terms energy: -969.141090 where: bonds (distance) C4'-P energy: -189.334 bonds (distance) P-C4' energy: -183.092 flat angles C4'-P-C4' energy: -207.648 flat angles P-C4'-P energy: -129.315 tors. eta vs tors. theta energy: -259.752 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: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2880.121503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.121503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.121503 (E_RNA) where: Base-Base interactions energy: -1947.157 where: short stacking energy: -812.777 Base-Backbone interact. energy: -2.894 local terms energy: -930.070310 where: bonds (distance) C4'-P energy: -180.085 bonds (distance) P-C4' energy: -171.470 flat angles C4'-P-C4' energy: -201.900 flat angles P-C4'-P energy: -136.783 tors. eta vs tors. theta energy: -239.832 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: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2701.041260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.041260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.041260 (E_RNA) where: Base-Base interactions energy: -1816.765 where: short stacking energy: -773.250 Base-Backbone interact. energy: -7.119 local terms energy: -877.157071 where: bonds (distance) C4'-P energy: -149.910 bonds (distance) P-C4' energy: -174.003 flat angles C4'-P-C4' energy: -195.543 flat angles P-C4'-P energy: -131.338 tors. eta vs tors. theta energy: -226.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2470.420268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.420268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.420268 (E_RNA) where: Base-Base interactions energy: -1641.920 where: short stacking energy: -702.326 Base-Backbone interact. energy: -2.082 local terms energy: -826.418369 where: bonds (distance) C4'-P energy: -158.957 bonds (distance) P-C4' energy: -158.990 flat angles C4'-P-C4' energy: -187.869 flat angles P-C4'-P energy: -124.444 tors. eta vs tors. theta energy: -196.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2363.506740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.506740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.506740 (E_RNA) where: Base-Base interactions energy: -1565.126 where: short stacking energy: -672.501 Base-Backbone interact. energy: -2.145 local terms energy: -796.235864 where: bonds (distance) C4'-P energy: -168.885 bonds (distance) P-C4' energy: -151.974 flat angles C4'-P-C4' energy: -183.629 flat angles P-C4'-P energy: -114.742 tors. eta vs tors. theta energy: -177.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2158.520238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.520238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.520238 (E_RNA) where: Base-Base interactions energy: -1412.533 where: short stacking energy: -580.664 Base-Backbone interact. energy: 5.538 local terms energy: -751.525014 where: bonds (distance) C4'-P energy: -150.641 bonds (distance) P-C4' energy: -175.734 flat angles C4'-P-C4' energy: -173.040 flat angles P-C4'-P energy: -112.357 tors. eta vs tors. theta energy: -139.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1692.237944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.237944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.237944 (E_RNA) where: Base-Base interactions energy: -1092.578 where: short stacking energy: -445.557 Base-Backbone interact. energy: 0.774 local terms energy: -600.433790 where: bonds (distance) C4'-P energy: -123.840 bonds (distance) P-C4' energy: -156.834 flat angles C4'-P-C4' energy: -161.726 flat angles P-C4'-P energy: -71.756 tors. eta vs tors. theta energy: -86.277 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: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1134.208850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.208850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.208850 (E_RNA) where: Base-Base interactions energy: -572.430 where: short stacking energy: -330.672 Base-Backbone interact. energy: -3.611 local terms energy: -558.167853 where: bonds (distance) C4'-P energy: -141.682 bonds (distance) P-C4' energy: -149.291 flat angles C4'-P-C4' energy: -151.221 flat angles P-C4'-P energy: -87.473 tors. eta vs tors. theta energy: -28.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -886.238125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.238125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.238125 (E_RNA) where: Base-Base interactions energy: -397.717 where: short stacking energy: -239.507 Base-Backbone interact. energy: -0.117 local terms energy: -488.404479 where: bonds (distance) C4'-P energy: -134.424 bonds (distance) P-C4' energy: -154.230 flat angles C4'-P-C4' energy: -141.183 flat angles P-C4'-P energy: -80.740 tors. eta vs tors. theta energy: 22.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -759.851046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.851046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.851046 (E_RNA) where: Base-Base interactions energy: -338.082 where: short stacking energy: -187.666 Base-Backbone interact. energy: -0.056 local terms energy: -421.712343 where: bonds (distance) C4'-P energy: -138.813 bonds (distance) P-C4' energy: -163.820 flat angles C4'-P-C4' energy: -97.545 flat angles P-C4'-P energy: -60.190 tors. eta vs tors. theta energy: 38.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3069.351061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.351061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.351061 (E_RNA) where: Base-Base interactions energy: -2100.190 where: short stacking energy: -859.188 Base-Backbone interact. energy: -1.134 local terms energy: -968.027139 where: bonds (distance) C4'-P energy: -171.576 bonds (distance) P-C4' energy: -179.314 flat angles C4'-P-C4' energy: -211.050 flat angles P-C4'-P energy: -136.190 tors. eta vs tors. theta energy: -269.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2903.661209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.661209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.661209 (E_RNA) where: Base-Base interactions energy: -1984.053 where: short stacking energy: -821.232 Base-Backbone interact. energy: -2.683 local terms energy: -916.924427 where: bonds (distance) C4'-P energy: -155.646 bonds (distance) P-C4' energy: -186.081 flat angles C4'-P-C4' energy: -214.011 flat angles P-C4'-P energy: -130.635 tors. eta vs tors. theta energy: -230.552 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: 239 Temperature: 1.000000 Total energy: -2799.796869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.796869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.796869 (E_RNA) where: Base-Base interactions energy: -1884.230 where: short stacking energy: -798.640 Base-Backbone interact. energy: -0.924 local terms energy: -914.642425 where: bonds (distance) C4'-P energy: -176.981 bonds (distance) P-C4' energy: -188.699 flat angles C4'-P-C4' energy: -197.129 flat angles P-C4'-P energy: -125.478 tors. eta vs tors. theta energy: -226.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2469.119370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.119370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.119370 (E_RNA) where: Base-Base interactions energy: -1634.837 where: short stacking energy: -704.824 Base-Backbone interact. energy: 2.847 local terms energy: -837.129460 where: bonds (distance) C4'-P energy: -172.512 bonds (distance) P-C4' energy: -169.902 flat angles C4'-P-C4' energy: -183.562 flat angles P-C4'-P energy: -124.624 tors. eta vs tors. theta energy: -186.529 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: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2372.866703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.866703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.866703 (E_RNA) where: Base-Base interactions energy: -1565.068 where: short stacking energy: -668.116 Base-Backbone interact. energy: -5.740 local terms energy: -802.059071 where: bonds (distance) C4'-P energy: -151.455 bonds (distance) P-C4' energy: -171.894 flat angles C4'-P-C4' energy: -179.047 flat angles P-C4'-P energy: -119.666 tors. eta vs tors. theta energy: -179.996 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: 7 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2147.130210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.130210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.130210 (E_RNA) where: Base-Base interactions energy: -1395.527 where: short stacking energy: -641.871 Base-Backbone interact. energy: -2.105 local terms energy: -749.498311 where: bonds (distance) C4'-P energy: -153.367 bonds (distance) P-C4' energy: -154.340 flat angles C4'-P-C4' energy: -167.507 flat angles P-C4'-P energy: -107.979 tors. eta vs tors. theta energy: -166.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1720.149057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.149057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.149057 (E_RNA) where: Base-Base interactions energy: -1073.747 where: short stacking energy: -467.543 Base-Backbone interact. energy: -1.890 local terms energy: -644.511568 where: bonds (distance) C4'-P energy: -149.527 bonds (distance) P-C4' energy: -155.305 flat angles C4'-P-C4' energy: -158.525 flat angles P-C4'-P energy: -98.603 tors. eta vs tors. theta energy: -82.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1146.522072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.522072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.522072 (E_RNA) where: Base-Base interactions energy: -619.413 where: short stacking energy: -308.801 Base-Backbone interact. energy: -5.706 local terms energy: -521.403121 where: bonds (distance) C4'-P energy: -139.820 bonds (distance) P-C4' energy: -155.419 flat angles C4'-P-C4' energy: -125.358 flat angles P-C4'-P energy: -84.807 tors. eta vs tors. theta energy: -16.000 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: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -880.049485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.049485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.049485 (E_RNA) where: Base-Base interactions energy: -373.757 where: short stacking energy: -228.647 Base-Backbone interact. energy: -4.466 local terms energy: -501.825973 where: bonds (distance) C4'-P energy: -136.885 bonds (distance) P-C4' energy: -149.469 flat angles C4'-P-C4' energy: -150.093 flat angles P-C4'-P energy: -82.061 tors. eta vs tors. theta energy: 16.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -776.661286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.661286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.661286 (E_RNA) where: Base-Base interactions energy: -324.961 where: short stacking energy: -208.344 Base-Backbone interact. energy: 2.839 local terms energy: -454.539082 where: bonds (distance) C4'-P energy: -141.320 bonds (distance) P-C4' energy: -143.980 flat angles C4'-P-C4' energy: -126.610 flat angles P-C4'-P energy: -76.591 tors. eta vs tors. theta energy: 33.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3020.359248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.359248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.359248 (E_RNA) where: Base-Base interactions energy: -2059.010 where: short stacking energy: -831.699 Base-Backbone interact. energy: -7.277 local terms energy: -954.072829 where: bonds (distance) C4'-P energy: -186.146 bonds (distance) P-C4' energy: -182.898 flat angles C4'-P-C4' energy: -198.547 flat angles P-C4'-P energy: -138.217 tors. eta vs tors. theta energy: -248.265 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: 240 Temperature: 0.950000 Total energy: -2918.382528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.382528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.382528 (E_RNA) where: Base-Base interactions energy: -2007.706 where: short stacking energy: -807.778 Base-Backbone interact. energy: 2.451 local terms energy: -913.127513 where: bonds (distance) C4'-P energy: -168.362 bonds (distance) P-C4' energy: -177.804 flat angles C4'-P-C4' energy: -199.615 flat angles P-C4'-P energy: -134.283 tors. eta vs tors. theta energy: -233.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2733.102285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.102285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.102285 (E_RNA) where: Base-Base interactions energy: -1827.577 where: short stacking energy: -792.005 Base-Backbone interact. energy: 4.032 local terms energy: -909.557137 where: bonds (distance) C4'-P energy: -159.462 bonds (distance) P-C4' energy: -187.008 flat angles C4'-P-C4' energy: -202.957 flat angles P-C4'-P energy: -118.904 tors. eta vs tors. theta energy: -241.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2521.941034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.941034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.941034 (E_RNA) where: Base-Base interactions energy: -1667.041 where: short stacking energy: -727.748 Base-Backbone interact. energy: -1.106 local terms energy: -853.794025 where: bonds (distance) C4'-P energy: -170.613 bonds (distance) P-C4' energy: -179.645 flat angles C4'-P-C4' energy: -169.562 flat angles P-C4'-P energy: -113.215 tors. eta vs tors. theta energy: -220.759 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: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2385.901997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.901997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.901997 (E_RNA) where: Base-Base interactions energy: -1576.983 where: short stacking energy: -655.350 Base-Backbone interact. energy: -1.844 local terms energy: -807.074643 where: bonds (distance) C4'-P energy: -164.655 bonds (distance) P-C4' energy: -173.048 flat angles C4'-P-C4' energy: -184.862 flat angles P-C4'-P energy: -105.499 tors. eta vs tors. theta energy: -179.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2194.805839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.805839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.805839 (E_RNA) where: Base-Base interactions energy: -1415.645 where: short stacking energy: -603.900 Base-Backbone interact. energy: -1.141 local terms energy: -778.019669 where: bonds (distance) C4'-P energy: -161.892 bonds (distance) P-C4' energy: -160.531 flat angles C4'-P-C4' energy: -182.454 flat angles P-C4'-P energy: -118.072 tors. eta vs tors. theta energy: -155.071 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: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1702.008383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.008383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.008383 (E_RNA) where: Base-Base interactions energy: -1061.076 where: short stacking energy: -482.834 Base-Backbone interact. energy: 0.050 local terms energy: -640.982531 where: bonds (distance) C4'-P energy: -136.346 bonds (distance) P-C4' energy: -142.977 flat angles C4'-P-C4' energy: -155.965 flat angles P-C4'-P energy: -103.431 tors. eta vs tors. theta energy: -102.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1211.402813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.402813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.402813 (E_RNA) where: Base-Base interactions energy: -659.488 where: short stacking energy: -327.840 Base-Backbone interact. energy: 1.821 local terms energy: -553.735783 where: bonds (distance) C4'-P energy: -137.816 bonds (distance) P-C4' energy: -159.514 flat angles C4'-P-C4' energy: -145.386 flat angles P-C4'-P energy: -76.702 tors. eta vs tors. theta energy: -34.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -863.119810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.119810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.119810 (E_RNA) where: Base-Base interactions energy: -393.103 where: short stacking energy: -202.898 Base-Backbone interact. energy: 4.371 local terms energy: -474.387266 where: bonds (distance) C4'-P energy: -147.863 bonds (distance) P-C4' energy: -162.285 flat angles C4'-P-C4' energy: -147.890 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: 42.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -783.126412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.126412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.126412 (E_RNA) where: Base-Base interactions energy: -319.434 where: short stacking energy: -216.752 Base-Backbone interact. energy: 7.842 local terms energy: -471.534966 where: bonds (distance) C4'-P energy: -144.884 bonds (distance) P-C4' energy: -161.927 flat angles C4'-P-C4' energy: -113.514 flat angles P-C4'-P energy: -71.303 tors. eta vs tors. theta energy: 20.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3047.073928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.073928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.073928 (E_RNA) where: Base-Base interactions energy: -2086.060 where: short stacking energy: -859.090 Base-Backbone interact. energy: 0.669 local terms energy: -961.682226 where: bonds (distance) C4'-P energy: -169.011 bonds (distance) P-C4' energy: -187.441 flat angles C4'-P-C4' energy: -210.008 flat angles P-C4'-P energy: -142.002 tors. eta vs tors. theta energy: -253.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2958.041066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.041066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.041066 (E_RNA) where: Base-Base interactions energy: -2023.192 where: short stacking energy: -804.490 Base-Backbone interact. energy: -4.088 local terms energy: -930.760740 where: bonds (distance) C4'-P energy: -179.112 bonds (distance) P-C4' energy: -191.929 flat angles C4'-P-C4' energy: -194.046 flat angles P-C4'-P energy: -146.992 tors. eta vs tors. theta energy: -218.683 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: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2671.915738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.915738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.915738 (E_RNA) where: Base-Base interactions energy: -1770.469 where: short stacking energy: -738.665 Base-Backbone interact. energy: -0.464 local terms energy: -900.982668 where: bonds (distance) C4'-P energy: -174.414 bonds (distance) P-C4' energy: -177.038 flat angles C4'-P-C4' energy: -194.614 flat angles P-C4'-P energy: -137.418 tors. eta vs tors. theta energy: -217.499 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: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2497.339232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.339232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.339232 (E_RNA) where: Base-Base interactions energy: -1673.567 where: short stacking energy: -719.536 Base-Backbone interact. energy: -1.715 local terms energy: -822.057650 where: bonds (distance) C4'-P energy: -163.536 bonds (distance) P-C4' energy: -166.314 flat angles C4'-P-C4' energy: -187.891 flat angles P-C4'-P energy: -93.334 tors. eta vs tors. theta energy: -210.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2386.383193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.383193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.383193 (E_RNA) where: Base-Base interactions energy: -1602.303 where: short stacking energy: -677.223 Base-Backbone interact. energy: -2.848 local terms energy: -781.232895 where: bonds (distance) C4'-P energy: -150.224 bonds (distance) P-C4' energy: -167.464 flat angles C4'-P-C4' energy: -159.437 flat angles P-C4'-P energy: -116.584 tors. eta vs tors. theta energy: -187.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2198.877084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.877084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.877084 (E_RNA) where: Base-Base interactions energy: -1464.765 where: short stacking energy: -623.551 Base-Backbone interact. energy: 1.222 local terms energy: -735.333683 where: bonds (distance) C4'-P energy: -146.078 bonds (distance) P-C4' energy: -165.054 flat angles C4'-P-C4' energy: -158.961 flat angles P-C4'-P energy: -106.275 tors. eta vs tors. theta energy: -158.966 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: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1748.239460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.239460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.239460 (E_RNA) where: Base-Base interactions energy: -1115.609 where: short stacking energy: -490.568 Base-Backbone interact. energy: 1.470 local terms energy: -634.100292 where: bonds (distance) C4'-P energy: -124.040 bonds (distance) P-C4' energy: -153.896 flat angles C4'-P-C4' energy: -158.747 flat angles P-C4'-P energy: -92.789 tors. eta vs tors. theta energy: -104.627 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: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1177.774539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.774539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.774539 (E_RNA) where: Base-Base interactions energy: -599.237 where: short stacking energy: -314.713 Base-Backbone interact. energy: -1.700 local terms energy: -576.837359 where: bonds (distance) C4'-P energy: -150.388 bonds (distance) P-C4' energy: -172.243 flat angles C4'-P-C4' energy: -122.745 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -36.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -854.649484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.649484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.649484 (E_RNA) where: Base-Base interactions energy: -390.628 where: short stacking energy: -197.561 Base-Backbone interact. energy: 5.559 local terms energy: -469.580633 where: bonds (distance) C4'-P energy: -143.482 bonds (distance) P-C4' energy: -162.720 flat angles C4'-P-C4' energy: -120.983 flat angles P-C4'-P energy: -73.974 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: 5 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -752.040032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.040032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.040032 (E_RNA) where: Base-Base interactions energy: -321.863 where: short stacking energy: -193.268 Base-Backbone interact. energy: 4.135 local terms energy: -434.311481 where: bonds (distance) C4'-P energy: -149.763 bonds (distance) P-C4' energy: -178.150 flat angles C4'-P-C4' energy: -91.023 flat angles P-C4'-P energy: -64.149 tors. eta vs tors. theta energy: 48.775 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: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2996.911374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.911374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.911374 (E_RNA) where: Base-Base interactions energy: -2019.980 where: short stacking energy: -848.080 Base-Backbone interact. energy: -3.884 local terms energy: -973.047080 where: bonds (distance) C4'-P energy: -180.914 bonds (distance) P-C4' energy: -198.173 flat angles C4'-P-C4' energy: -206.368 flat angles P-C4'-P energy: -125.006 tors. eta vs tors. theta energy: -262.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2942.803491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.803491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.803491 (E_RNA) where: Base-Base interactions energy: -2013.630 where: short stacking energy: -814.340 Base-Backbone interact. energy: -5.897 local terms energy: -923.276365 where: bonds (distance) C4'-P energy: -173.158 bonds (distance) P-C4' energy: -178.349 flat angles C4'-P-C4' energy: -203.810 flat angles P-C4'-P energy: -126.126 tors. eta vs tors. theta energy: -241.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2728.366030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.366030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.366030 (E_RNA) where: Base-Base interactions energy: -1810.947 where: short stacking energy: -791.489 Base-Backbone interact. energy: -3.112 local terms energy: -914.306866 where: bonds (distance) C4'-P energy: -172.746 bonds (distance) P-C4' energy: -175.815 flat angles C4'-P-C4' energy: -192.251 flat angles P-C4'-P energy: -136.408 tors. eta vs tors. theta energy: -237.086 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: 4, replica: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2495.517224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.517224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.517224 (E_RNA) where: Base-Base interactions energy: -1673.313 where: short stacking energy: -701.727 Base-Backbone interact. energy: -3.734 local terms energy: -818.469930 where: bonds (distance) C4'-P energy: -163.097 bonds (distance) P-C4' energy: -172.050 flat angles C4'-P-C4' energy: -189.812 flat angles P-C4'-P energy: -101.120 tors. eta vs tors. theta energy: -192.391 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: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2355.767929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.767929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.767929 (E_RNA) where: Base-Base interactions energy: -1564.613 where: short stacking energy: -645.505 Base-Backbone interact. energy: -0.773 local terms energy: -790.381511 where: bonds (distance) C4'-P energy: -153.830 bonds (distance) P-C4' energy: -168.051 flat angles C4'-P-C4' energy: -170.434 flat angles P-C4'-P energy: -113.637 tors. eta vs tors. theta energy: -184.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2159.188293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.188293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.188293 (E_RNA) where: Base-Base interactions energy: -1404.619 where: short stacking energy: -619.413 Base-Backbone interact. energy: -3.350 local terms energy: -751.219068 where: bonds (distance) C4'-P energy: -153.868 bonds (distance) P-C4' energy: -151.359 flat angles C4'-P-C4' energy: -166.070 flat angles P-C4'-P energy: -96.315 tors. eta vs tors. theta energy: -183.607 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: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1779.363210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.363210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.363210 (E_RNA) where: Base-Base interactions energy: -1072.792 where: short stacking energy: -475.776 Base-Backbone interact. energy: 0.127 local terms energy: -706.698327 where: bonds (distance) C4'-P energy: -166.324 bonds (distance) P-C4' energy: -181.799 flat angles C4'-P-C4' energy: -150.848 flat angles P-C4'-P energy: -97.431 tors. eta vs tors. theta energy: -110.296 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: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1131.156456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.156456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.156456 (E_RNA) where: Base-Base interactions energy: -573.312 where: short stacking energy: -299.049 Base-Backbone interact. energy: 4.563 local terms energy: -562.407748 where: bonds (distance) C4'-P energy: -143.600 bonds (distance) P-C4' energy: -153.018 flat angles C4'-P-C4' energy: -163.741 flat angles P-C4'-P energy: -81.975 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: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -905.743298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.743298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.743298 (E_RNA) where: Base-Base interactions energy: -414.210 where: short stacking energy: -255.131 Base-Backbone interact. energy: -2.409 local terms energy: -489.124648 where: bonds (distance) C4'-P energy: -150.339 bonds (distance) P-C4' energy: -154.555 flat angles C4'-P-C4' energy: -135.987 flat angles P-C4'-P energy: -53.819 tors. eta vs tors. theta energy: 5.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -771.472221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.472221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.472221 (E_RNA) where: Base-Base interactions energy: -331.009 where: short stacking energy: -232.738 Base-Backbone interact. energy: -1.688 local terms energy: -438.775757 where: bonds (distance) C4'-P energy: -153.080 bonds (distance) P-C4' energy: -155.156 flat angles C4'-P-C4' energy: -104.757 flat angles P-C4'-P energy: -34.674 tors. eta vs tors. theta energy: 8.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3013.222293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.222293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.222293 (E_RNA) where: Base-Base interactions energy: -2051.003 where: short stacking energy: -873.929 Base-Backbone interact. energy: -1.297 local terms energy: -960.922259 where: bonds (distance) C4'-P energy: -179.390 bonds (distance) P-C4' energy: -178.110 flat angles C4'-P-C4' energy: -211.500 flat angles P-C4'-P energy: -130.492 tors. eta vs tors. theta energy: -261.431 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: 2, replica: 6 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2915.018645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.018645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.018645 (E_RNA) where: Base-Base interactions energy: -1975.996 where: short stacking energy: -811.729 Base-Backbone interact. energy: -5.409 local terms energy: -933.613178 where: bonds (distance) C4'-P energy: -182.270 bonds (distance) P-C4' energy: -168.626 flat angles C4'-P-C4' energy: -210.616 flat angles P-C4'-P energy: -135.623 tors. eta vs tors. theta energy: -236.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2718.702863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.702863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.702863 (E_RNA) where: Base-Base interactions energy: -1807.889 where: short stacking energy: -754.422 Base-Backbone interact. energy: -3.525 local terms energy: -907.288605 where: bonds (distance) C4'-P energy: -170.885 bonds (distance) P-C4' energy: -185.033 flat angles C4'-P-C4' energy: -201.651 flat angles P-C4'-P energy: -120.300 tors. eta vs tors. theta energy: -229.419 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: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2559.172190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.172190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.172190 (E_RNA) where: Base-Base interactions energy: -1700.592 where: short stacking energy: -732.450 Base-Backbone interact. energy: -2.524 local terms energy: -856.055945 where: bonds (distance) C4'-P energy: -171.748 bonds (distance) P-C4' energy: -159.309 flat angles C4'-P-C4' energy: -182.936 flat angles P-C4'-P energy: -133.086 tors. eta vs tors. theta energy: -208.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2378.749768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.749768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.749768 (E_RNA) where: Base-Base interactions energy: -1560.950 where: short stacking energy: -671.059 Base-Backbone interact. energy: -4.161 local terms energy: -813.639004 where: bonds (distance) C4'-P energy: -176.159 bonds (distance) P-C4' energy: -166.412 flat angles C4'-P-C4' energy: -181.713 flat angles P-C4'-P energy: -112.779 tors. eta vs tors. theta energy: -176.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2118.398373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.398373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.398373 (E_RNA) where: Base-Base interactions energy: -1358.066 where: short stacking energy: -582.436 Base-Backbone interact. energy: 2.694 local terms energy: -763.026157 where: bonds (distance) C4'-P energy: -156.719 bonds (distance) P-C4' energy: -180.508 flat angles C4'-P-C4' energy: -166.922 flat angles P-C4'-P energy: -115.792 tors. eta vs tors. theta energy: -143.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1813.087974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.087974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.087974 (E_RNA) where: Base-Base interactions energy: -1114.868 where: short stacking energy: -519.064 Base-Backbone interact. energy: -2.626 local terms energy: -695.594331 where: bonds (distance) C4'-P energy: -142.957 bonds (distance) P-C4' energy: -157.468 flat angles C4'-P-C4' energy: -179.063 flat angles P-C4'-P energy: -97.469 tors. eta vs tors. theta energy: -118.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1200.719313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.719313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.719313 (E_RNA) where: Base-Base interactions energy: -636.430 where: short stacking energy: -328.587 Base-Backbone interact. energy: 0.546 local terms energy: -564.835149 where: bonds (distance) C4'-P energy: -147.204 bonds (distance) P-C4' energy: -172.945 flat angles C4'-P-C4' energy: -139.148 flat angles P-C4'-P energy: -100.908 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -949.947781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.947781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.947781 (E_RNA) where: Base-Base interactions energy: -449.080 where: short stacking energy: -276.805 Base-Backbone interact. energy: 1.807 local terms energy: -502.675221 where: bonds (distance) C4'-P energy: -144.033 bonds (distance) P-C4' energy: -128.450 flat angles C4'-P-C4' energy: -157.130 flat angles P-C4'-P energy: -65.946 tors. eta vs tors. theta energy: -7.116 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: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -733.369261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.369261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.369261 (E_RNA) where: Base-Base interactions energy: -269.807 where: short stacking energy: -173.205 Base-Backbone interact. energy: 3.715 local terms energy: -467.277070 where: bonds (distance) C4'-P energy: -139.996 bonds (distance) P-C4' energy: -150.444 flat angles C4'-P-C4' energy: -139.387 flat angles P-C4'-P energy: -81.830 tors. eta vs tors. theta energy: 44.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3035.628485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.628485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.628485 (E_RNA) where: Base-Base interactions energy: -2044.855 where: short stacking energy: -874.279 Base-Backbone interact. energy: 0.123 local terms energy: -990.896826 where: bonds (distance) C4'-P energy: -170.651 bonds (distance) P-C4' energy: -189.002 flat angles C4'-P-C4' energy: -202.890 flat angles P-C4'-P energy: -154.659 tors. eta vs tors. theta energy: -273.695 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: 6 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2891.729099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.729099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.729099 (E_RNA) where: Base-Base interactions energy: -1964.302 where: short stacking energy: -814.947 Base-Backbone interact. energy: -4.187 local terms energy: -923.240947 where: bonds (distance) C4'-P energy: -183.991 bonds (distance) P-C4' energy: -174.317 flat angles C4'-P-C4' energy: -196.198 flat angles P-C4'-P energy: -128.531 tors. eta vs tors. theta energy: -240.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2669.071395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.071395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.071395 (E_RNA) where: Base-Base interactions energy: -1811.685 where: short stacking energy: -764.983 Base-Backbone interact. energy: 3.892 local terms energy: -861.278999 where: bonds (distance) C4'-P energy: -153.145 bonds (distance) P-C4' energy: -180.399 flat angles C4'-P-C4' energy: -180.252 flat angles P-C4'-P energy: -131.372 tors. eta vs tors. theta energy: -216.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2535.766575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.766575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.766575 (E_RNA) where: Base-Base interactions energy: -1678.583 where: short stacking energy: -720.552 Base-Backbone interact. energy: -6.037 local terms energy: -851.147168 where: bonds (distance) C4'-P energy: -155.438 bonds (distance) P-C4' energy: -143.191 flat angles C4'-P-C4' energy: -187.241 flat angles P-C4'-P energy: -142.473 tors. eta vs tors. theta energy: -222.804 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: 10 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2421.077239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.077239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.077239 (E_RNA) where: Base-Base interactions energy: -1649.624 where: short stacking energy: -715.759 Base-Backbone interact. energy: -4.109 local terms energy: -767.344199 where: bonds (distance) C4'-P energy: -136.121 bonds (distance) P-C4' energy: -160.597 flat angles C4'-P-C4' energy: -195.393 flat angles P-C4'-P energy: -80.867 tors. eta vs tors. theta energy: -194.367 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: 7 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2140.447478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.447478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.447478 (E_RNA) where: Base-Base interactions energy: -1434.008 where: short stacking energy: -619.369 Base-Backbone interact. energy: -1.594 local terms energy: -704.845502 where: bonds (distance) C4'-P energy: -128.024 bonds (distance) P-C4' energy: -158.970 flat angles C4'-P-C4' energy: -169.023 flat angles P-C4'-P energy: -107.037 tors. eta vs tors. theta energy: -141.792 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: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1730.170575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.170575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.170575 (E_RNA) where: Base-Base interactions energy: -1044.177 where: short stacking energy: -490.040 Base-Backbone interact. energy: 1.257 local terms energy: -687.251423 where: bonds (distance) C4'-P energy: -166.317 bonds (distance) P-C4' energy: -175.568 flat angles C4'-P-C4' energy: -151.202 flat angles P-C4'-P energy: -85.844 tors. eta vs tors. theta energy: -108.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1165.697500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.697500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.697500 (E_RNA) where: Base-Base interactions energy: -604.333 where: short stacking energy: -323.005 Base-Backbone interact. energy: 0.481 local terms energy: -561.845196 where: bonds (distance) C4'-P energy: -142.480 bonds (distance) P-C4' energy: -173.933 flat angles C4'-P-C4' energy: -129.757 flat angles P-C4'-P energy: -87.863 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: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -878.108933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.108933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.108933 (E_RNA) where: Base-Base interactions energy: -396.748 where: short stacking energy: -240.674 Base-Backbone interact. energy: 4.938 local terms energy: -486.299205 where: bonds (distance) C4'-P energy: -143.299 bonds (distance) P-C4' energy: -156.305 flat angles C4'-P-C4' energy: -133.436 flat angles P-C4'-P energy: -63.214 tors. eta vs tors. theta energy: 9.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -765.638555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.638555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.638555 (E_RNA) where: Base-Base interactions energy: -312.891 where: short stacking energy: -208.749 Base-Backbone interact. energy: 3.058 local terms energy: -455.805805 where: bonds (distance) C4'-P energy: -129.915 bonds (distance) P-C4' energy: -159.167 flat angles C4'-P-C4' energy: -127.097 flat angles P-C4'-P energy: -73.180 tors. eta vs tors. theta energy: 33.553 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: 245 Temperature: 0.900000 Total energy: -3049.594216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.594216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.594216 (E_RNA) where: Base-Base interactions energy: -2090.663 where: short stacking energy: -872.685 Base-Backbone interact. energy: -6.482 local terms energy: -952.449569 where: bonds (distance) C4'-P energy: -169.381 bonds (distance) P-C4' energy: -192.908 flat angles C4'-P-C4' energy: -196.522 flat angles P-C4'-P energy: -123.026 tors. eta vs tors. theta energy: -270.612 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: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2900.768409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.768409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.768409 (E_RNA) where: Base-Base interactions energy: -2010.329 where: short stacking energy: -807.117 Base-Backbone interact. energy: -2.470 local terms energy: -887.969581 where: bonds (distance) C4'-P energy: -172.219 bonds (distance) P-C4' energy: -156.225 flat angles C4'-P-C4' energy: -192.851 flat angles P-C4'-P energy: -133.810 tors. eta vs tors. theta energy: -232.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2693.301855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.301855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.301855 (E_RNA) where: Base-Base interactions energy: -1773.535 where: short stacking energy: -769.124 Base-Backbone interact. energy: -6.358 local terms energy: -913.408791 where: bonds (distance) C4'-P energy: -172.907 bonds (distance) P-C4' energy: -193.953 flat angles C4'-P-C4' energy: -195.217 flat angles P-C4'-P energy: -122.056 tors. eta vs tors. theta energy: -229.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2493.585031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.585031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.585031 (E_RNA) where: Base-Base interactions energy: -1663.617 where: short stacking energy: -702.158 Base-Backbone interact. energy: -0.022 local terms energy: -829.946059 where: bonds (distance) C4'-P energy: -182.709 bonds (distance) P-C4' energy: -165.088 flat angles C4'-P-C4' energy: -184.033 flat angles P-C4'-P energy: -116.074 tors. eta vs tors. theta energy: -182.041 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: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2380.033102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.033102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.033102 (E_RNA) where: Base-Base interactions energy: -1595.070 where: short stacking energy: -664.348 Base-Backbone interact. energy: -0.580 local terms energy: -784.383505 where: bonds (distance) C4'-P energy: -158.600 bonds (distance) P-C4' energy: -164.445 flat angles C4'-P-C4' energy: -156.775 flat angles P-C4'-P energy: -120.781 tors. eta vs tors. theta energy: -183.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2122.036952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.036952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.036952 (E_RNA) where: Base-Base interactions energy: -1353.328 where: short stacking energy: -613.669 Base-Backbone interact. energy: 0.660 local terms energy: -769.369274 where: bonds (distance) C4'-P energy: -159.691 bonds (distance) P-C4' energy: -153.454 flat angles C4'-P-C4' energy: -174.889 flat angles P-C4'-P energy: -108.792 tors. eta vs tors. theta energy: -172.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1750.531180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.531180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.531180 (E_RNA) where: Base-Base interactions energy: -1100.365 where: short stacking energy: -483.918 Base-Backbone interact. energy: -0.431 local terms energy: -649.734662 where: bonds (distance) C4'-P energy: -142.194 bonds (distance) P-C4' energy: -143.119 flat angles C4'-P-C4' energy: -139.302 flat angles P-C4'-P energy: -122.869 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: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1208.350872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.350872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.350872 (E_RNA) where: Base-Base interactions energy: -672.550 where: short stacking energy: -331.277 Base-Backbone interact. energy: -4.367 local terms energy: -531.434373 where: bonds (distance) C4'-P energy: -135.277 bonds (distance) P-C4' energy: -143.374 flat angles C4'-P-C4' energy: -142.886 flat angles P-C4'-P energy: -73.748 tors. eta vs tors. theta energy: -36.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -878.790255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.790255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.790255 (E_RNA) where: Base-Base interactions energy: -379.683 where: short stacking energy: -255.309 Base-Backbone interact. energy: 1.867 local terms energy: -500.974539 where: bonds (distance) C4'-P energy: -145.963 bonds (distance) P-C4' energy: -148.674 flat angles C4'-P-C4' energy: -155.768 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: 5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -728.424769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.424769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.424769 (E_RNA) where: Base-Base interactions energy: -311.466 where: short stacking energy: -189.168 Base-Backbone interact. energy: 6.577 local terms energy: -423.535988 where: bonds (distance) C4'-P energy: -130.188 bonds (distance) P-C4' energy: -155.967 flat angles C4'-P-C4' energy: -136.473 flat angles P-C4'-P energy: -46.542 tors. eta vs tors. theta energy: 45.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3031.386051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.386051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.386051 (E_RNA) where: Base-Base interactions energy: -2085.666 where: short stacking energy: -889.729 Base-Backbone interact. energy: 4.875 local terms energy: -950.595186 where: bonds (distance) C4'-P energy: -173.130 bonds (distance) P-C4' energy: -181.884 flat angles C4'-P-C4' energy: -200.129 flat angles P-C4'-P energy: -130.870 tors. eta vs tors. theta energy: -264.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2913.753293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.753293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.753293 (E_RNA) where: Base-Base interactions energy: -1996.074 where: short stacking energy: -779.384 Base-Backbone interact. energy: -3.598 local terms energy: -914.080844 where: bonds (distance) C4'-P energy: -173.686 bonds (distance) P-C4' energy: -171.759 flat angles C4'-P-C4' energy: -202.216 flat angles P-C4'-P energy: -141.477 tors. eta vs tors. theta energy: -224.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2657.913784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.913784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.913784 (E_RNA) where: Base-Base interactions energy: -1774.060 where: short stacking energy: -770.150 Base-Backbone interact. energy: -3.843 local terms energy: -880.010716 where: bonds (distance) C4'-P energy: -170.064 bonds (distance) P-C4' energy: -178.341 flat angles C4'-P-C4' energy: -198.856 flat angles P-C4'-P energy: -121.780 tors. eta vs tors. theta energy: -210.970 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: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2556.365110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.365110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.365110 (E_RNA) where: Base-Base interactions energy: -1699.019 where: short stacking energy: -715.842 Base-Backbone interact. energy: 0.152 local terms energy: -857.498037 where: bonds (distance) C4'-P energy: -160.802 bonds (distance) P-C4' energy: -165.267 flat angles C4'-P-C4' energy: -182.246 flat angles P-C4'-P energy: -132.238 tors. eta vs tors. theta energy: -216.945 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: 5, replica: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2377.182730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.182730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.182730 (E_RNA) where: Base-Base interactions energy: -1590.110 where: short stacking energy: -675.347 Base-Backbone interact. energy: -2.074 local terms energy: -784.999029 where: bonds (distance) C4'-P energy: -133.890 bonds (distance) P-C4' energy: -166.325 flat angles C4'-P-C4' energy: -180.127 flat angles P-C4'-P energy: -115.808 tors. eta vs tors. theta energy: -188.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2149.437473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.437473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.437473 (E_RNA) where: Base-Base interactions energy: -1405.978 where: short stacking energy: -619.862 Base-Backbone interact. energy: -2.586 local terms energy: -740.873858 where: bonds (distance) C4'-P energy: -142.230 bonds (distance) P-C4' energy: -164.108 flat angles C4'-P-C4' energy: -177.781 flat angles P-C4'-P energy: -98.352 tors. eta vs tors. theta energy: -158.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1756.521168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.521168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.521168 (E_RNA) where: Base-Base interactions energy: -1087.346 where: short stacking energy: -493.751 Base-Backbone interact. energy: -4.781 local terms energy: -664.393929 where: bonds (distance) C4'-P energy: -139.737 bonds (distance) P-C4' energy: -174.135 flat angles C4'-P-C4' energy: -147.931 flat angles P-C4'-P energy: -106.130 tors. eta vs tors. theta energy: -96.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1213.328447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.328447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.328447 (E_RNA) where: Base-Base interactions energy: -647.083 where: short stacking energy: -316.671 Base-Backbone interact. energy: -1.372 local terms energy: -564.873720 where: bonds (distance) C4'-P energy: -152.618 bonds (distance) P-C4' energy: -172.630 flat angles C4'-P-C4' energy: -124.974 flat angles P-C4'-P energy: -80.574 tors. eta vs tors. theta energy: -34.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -870.054453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.054453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.054453 (E_RNA) where: Base-Base interactions energy: -360.930 where: short stacking energy: -208.250 Base-Backbone interact. energy: 3.039 local terms energy: -512.164047 where: bonds (distance) C4'-P energy: -138.521 bonds (distance) P-C4' energy: -161.816 flat angles C4'-P-C4' energy: -125.416 flat angles P-C4'-P energy: -112.119 tors. eta vs tors. theta energy: 25.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -762.783294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.783294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.783294 (E_RNA) where: Base-Base interactions energy: -305.942 where: short stacking energy: -216.911 Base-Backbone interact. energy: -1.388 local terms energy: -455.453812 where: bonds (distance) C4'-P energy: -125.731 bonds (distance) P-C4' energy: -154.812 flat angles C4'-P-C4' energy: -121.657 flat angles P-C4'-P energy: -88.420 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: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3071.172481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.172481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.172481 (E_RNA) where: Base-Base interactions energy: -2086.101 where: short stacking energy: -889.445 Base-Backbone interact. energy: 6.684 local terms energy: -991.754872 where: bonds (distance) C4'-P energy: -179.782 bonds (distance) P-C4' energy: -187.935 flat angles C4'-P-C4' energy: -222.094 flat angles P-C4'-P energy: -138.175 tors. eta vs tors. theta energy: -263.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2915.100326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.100326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.100326 (E_RNA) where: Base-Base interactions energy: -1978.048 where: short stacking energy: -807.472 Base-Backbone interact. energy: -7.123 local terms energy: -929.929416 where: bonds (distance) C4'-P energy: -167.076 bonds (distance) P-C4' energy: -190.648 flat angles C4'-P-C4' energy: -192.073 flat angles P-C4'-P energy: -135.840 tors. eta vs tors. theta energy: -244.292 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: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2709.581391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.581391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.581391 (E_RNA) where: Base-Base interactions energy: -1846.226 where: short stacking energy: -789.784 Base-Backbone interact. energy: -3.038 local terms energy: -860.317321 where: bonds (distance) C4'-P energy: -157.250 bonds (distance) P-C4' energy: -167.750 flat angles C4'-P-C4' energy: -183.992 flat angles P-C4'-P energy: -125.576 tors. eta vs tors. theta energy: -225.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2479.424045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.424045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.424045 (E_RNA) where: Base-Base interactions energy: -1626.624 where: short stacking energy: -705.830 Base-Backbone interact. energy: -1.639 local terms energy: -851.161334 where: bonds (distance) C4'-P energy: -158.666 bonds (distance) P-C4' energy: -166.861 flat angles C4'-P-C4' energy: -177.068 flat angles P-C4'-P energy: -133.197 tors. eta vs tors. theta energy: -215.370 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: 247 Temperature: 1.100000 Total energy: -2381.952218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.952218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.952218 (E_RNA) where: Base-Base interactions energy: -1587.110 where: short stacking energy: -686.975 Base-Backbone interact. energy: 2.076 local terms energy: -796.917986 where: bonds (distance) C4'-P energy: -160.942 bonds (distance) P-C4' energy: -158.793 flat angles C4'-P-C4' energy: -177.677 flat angles P-C4'-P energy: -112.676 tors. eta vs tors. theta energy: -186.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2149.939868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.939868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.939868 (E_RNA) where: Base-Base interactions energy: -1411.129 where: short stacking energy: -612.649 Base-Backbone interact. energy: -2.369 local terms energy: -736.441210 where: bonds (distance) C4'-P energy: -165.317 bonds (distance) P-C4' energy: -143.064 flat angles C4'-P-C4' energy: -169.486 flat angles P-C4'-P energy: -102.390 tors. eta vs tors. theta energy: -156.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1660.597248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.597248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.597248 (E_RNA) where: Base-Base interactions energy: -1007.525 where: short stacking energy: -429.832 Base-Backbone interact. energy: -5.758 local terms energy: -647.314211 where: bonds (distance) C4'-P energy: -160.327 bonds (distance) P-C4' energy: -154.001 flat angles C4'-P-C4' energy: -172.952 flat angles P-C4'-P energy: -85.469 tors. eta vs tors. theta energy: -74.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1287.527577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.527577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.527577 (E_RNA) where: Base-Base interactions energy: -723.912 where: short stacking energy: -363.508 Base-Backbone interact. energy: 1.052 local terms energy: -564.667296 where: bonds (distance) C4'-P energy: -136.525 bonds (distance) P-C4' energy: -155.632 flat angles C4'-P-C4' energy: -150.217 flat angles P-C4'-P energy: -79.081 tors. eta vs tors. theta energy: -43.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -844.521351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.521351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.521351 (E_RNA) where: Base-Base interactions energy: -374.230 where: short stacking energy: -232.315 Base-Backbone interact. energy: -2.980 local terms energy: -467.310981 where: bonds (distance) C4'-P energy: -159.262 bonds (distance) P-C4' energy: -142.144 flat angles C4'-P-C4' energy: -110.681 flat angles P-C4'-P energy: -66.121 tors. eta vs tors. theta energy: 10.897 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: 5 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -700.762996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.762996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.762996 (E_RNA) where: Base-Base interactions energy: -218.570 where: short stacking energy: -155.785 Base-Backbone interact. energy: 2.911 local terms energy: -485.103372 where: bonds (distance) C4'-P energy: -151.407 bonds (distance) P-C4' energy: -175.978 flat angles C4'-P-C4' energy: -132.946 flat angles P-C4'-P energy: -72.270 tors. eta vs tors. theta energy: 47.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3063.636114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.636114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.636114 (E_RNA) where: Base-Base interactions energy: -2081.609 where: short stacking energy: -862.439 Base-Backbone interact. energy: 6.660 local terms energy: -988.686559 where: bonds (distance) C4'-P energy: -188.851 bonds (distance) P-C4' energy: -174.160 flat angles C4'-P-C4' energy: -204.832 flat angles P-C4'-P energy: -145.107 tors. eta vs tors. theta energy: -275.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2934.871445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.871445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.871445 (E_RNA) where: Base-Base interactions energy: -1998.775 where: short stacking energy: -794.495 Base-Backbone interact. energy: -7.119 local terms energy: -928.977301 where: bonds (distance) C4'-P energy: -178.374 bonds (distance) P-C4' energy: -173.250 flat angles C4'-P-C4' energy: -197.044 flat angles P-C4'-P energy: -135.943 tors. eta vs tors. theta energy: -244.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2721.627053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.627053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.627053 (E_RNA) where: Base-Base interactions energy: -1820.081 where: short stacking energy: -777.186 Base-Backbone interact. energy: -0.296 local terms energy: -901.249673 where: bonds (distance) C4'-P energy: -170.167 bonds (distance) P-C4' energy: -183.188 flat angles C4'-P-C4' energy: -193.858 flat angles P-C4'-P energy: -125.710 tors. eta vs tors. theta energy: -228.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2439.620135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.620135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.620135 (E_RNA) where: Base-Base interactions energy: -1606.280 where: short stacking energy: -652.400 Base-Backbone interact. energy: -0.380 local terms energy: -832.959867 where: bonds (distance) C4'-P energy: -161.392 bonds (distance) P-C4' energy: -171.112 flat angles C4'-P-C4' energy: -187.931 flat angles P-C4'-P energy: -121.048 tors. eta vs tors. theta energy: -191.477 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: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2369.804174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.804174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.804174 (E_RNA) where: Base-Base interactions energy: -1553.953 where: short stacking energy: -649.141 Base-Backbone interact. energy: -2.041 local terms energy: -813.810350 where: bonds (distance) C4'-P energy: -174.900 bonds (distance) P-C4' energy: -179.710 flat angles C4'-P-C4' energy: -177.421 flat angles P-C4'-P energy: -128.682 tors. eta vs tors. theta energy: -153.098 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: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2178.566054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.566054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.566054 (E_RNA) where: Base-Base interactions energy: -1411.486 where: short stacking energy: -643.067 Base-Backbone interact. energy: 1.864 local terms energy: -768.943641 where: bonds (distance) C4'-P energy: -144.016 bonds (distance) P-C4' energy: -170.234 flat angles C4'-P-C4' energy: -157.471 flat angles P-C4'-P energy: -127.051 tors. eta vs tors. theta energy: -170.171 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: 2 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1667.960496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.960496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.960496 (E_RNA) where: Base-Base interactions energy: -1039.139 where: short stacking energy: -457.746 Base-Backbone interact. energy: -3.995 local terms energy: -624.826479 where: bonds (distance) C4'-P energy: -146.107 bonds (distance) P-C4' energy: -144.480 flat angles C4'-P-C4' energy: -148.211 flat angles P-C4'-P energy: -101.536 tors. eta vs tors. theta energy: -84.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1262.261829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.261829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.261829 (E_RNA) where: Base-Base interactions energy: -690.993 where: short stacking energy: -371.392 Base-Backbone interact. energy: 1.306 local terms energy: -572.574212 where: bonds (distance) C4'-P energy: -145.370 bonds (distance) P-C4' energy: -161.242 flat angles C4'-P-C4' energy: -167.554 flat angles P-C4'-P energy: -67.807 tors. eta vs tors. theta energy: -30.602 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: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -830.890256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.890256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.890256 (E_RNA) where: Base-Base interactions energy: -346.358 where: short stacking energy: -228.724 Base-Backbone interact. energy: -1.124 local terms energy: -483.407669 where: bonds (distance) C4'-P energy: -132.267 bonds (distance) P-C4' energy: -160.022 flat angles C4'-P-C4' energy: -120.487 flat angles P-C4'-P energy: -79.702 tors. eta vs tors. theta energy: 9.070 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: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -743.190101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.190101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.190101 (E_RNA) where: Base-Base interactions energy: -330.156 where: short stacking energy: -185.637 Base-Backbone interact. energy: 9.217 local terms energy: -422.251067 where: bonds (distance) C4'-P energy: -111.096 bonds (distance) P-C4' energy: -166.615 flat angles C4'-P-C4' energy: -112.464 flat angles P-C4'-P energy: -53.327 tors. eta vs tors. theta energy: 21.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3093.081727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.081727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.081727 (E_RNA) where: Base-Base interactions energy: -2109.722 where: short stacking energy: -897.066 Base-Backbone interact. energy: 6.451 local terms energy: -989.810171 where: bonds (distance) C4'-P energy: -170.908 bonds (distance) P-C4' energy: -196.588 flat angles C4'-P-C4' energy: -217.237 flat angles P-C4'-P energy: -133.354 tors. eta vs tors. theta energy: -271.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2931.982403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.982403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.982403 (E_RNA) where: Base-Base interactions energy: -1993.626 where: short stacking energy: -798.835 Base-Backbone interact. energy: -5.564 local terms energy: -932.792902 where: bonds (distance) C4'-P energy: -181.136 bonds (distance) P-C4' energy: -189.286 flat angles C4'-P-C4' energy: -190.547 flat angles P-C4'-P energy: -128.386 tors. eta vs tors. theta energy: -243.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2687.465743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.465743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.465743 (E_RNA) where: Base-Base interactions energy: -1797.276 where: short stacking energy: -745.191 Base-Backbone interact. energy: 0.397 local terms energy: -890.586811 where: bonds (distance) C4'-P energy: -162.303 bonds (distance) P-C4' energy: -165.896 flat angles C4'-P-C4' energy: -204.110 flat angles P-C4'-P energy: -129.530 tors. eta vs tors. theta energy: -228.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2487.738016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.738016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.738016 (E_RNA) where: Base-Base interactions energy: -1651.651 where: short stacking energy: -696.244 Base-Backbone interact. energy: -5.143 local terms energy: -830.944160 where: bonds (distance) C4'-P energy: -176.823 bonds (distance) P-C4' energy: -160.493 flat angles C4'-P-C4' energy: -185.059 flat angles P-C4'-P energy: -112.487 tors. eta vs tors. theta energy: -196.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2346.825998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.825998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.825998 (E_RNA) where: Base-Base interactions energy: -1544.112 where: short stacking energy: -639.137 Base-Backbone interact. energy: -3.619 local terms energy: -799.094786 where: bonds (distance) C4'-P energy: -154.053 bonds (distance) P-C4' energy: -168.193 flat angles C4'-P-C4' energy: -181.146 flat angles P-C4'-P energy: -110.092 tors. eta vs tors. theta energy: -185.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2157.019000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.019000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.019000 (E_RNA) where: Base-Base interactions energy: -1415.603 where: short stacking energy: -630.877 Base-Backbone interact. energy: -0.934 local terms energy: -740.481612 where: bonds (distance) C4'-P energy: -137.793 bonds (distance) P-C4' energy: -154.379 flat angles C4'-P-C4' energy: -178.267 flat angles P-C4'-P energy: -109.224 tors. eta vs tors. theta energy: -160.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1625.709061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.709061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.709061 (E_RNA) where: Base-Base interactions energy: -965.004 where: short stacking energy: -450.128 Base-Backbone interact. energy: -1.206 local terms energy: -659.499282 where: bonds (distance) C4'-P energy: -132.498 bonds (distance) P-C4' energy: -148.524 flat angles C4'-P-C4' energy: -170.485 flat angles P-C4'-P energy: -104.940 tors. eta vs tors. theta energy: -103.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1208.435087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.435087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.435087 (E_RNA) where: Base-Base interactions energy: -646.122 where: short stacking energy: -320.441 Base-Backbone interact. energy: -2.053 local terms energy: -560.260068 where: bonds (distance) C4'-P energy: -150.264 bonds (distance) P-C4' energy: -155.572 flat angles C4'-P-C4' energy: -141.286 flat angles P-C4'-P energy: -98.514 tors. eta vs tors. theta energy: -14.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -927.929818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.929818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.929818 (E_RNA) where: Base-Base interactions energy: -448.040 where: short stacking energy: -265.609 Base-Backbone interact. energy: -0.400 local terms energy: -479.489663 where: bonds (distance) C4'-P energy: -131.059 bonds (distance) P-C4' energy: -146.937 flat angles C4'-P-C4' energy: -120.502 flat angles P-C4'-P energy: -91.532 tors. eta vs tors. theta energy: 10.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -779.370737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.370737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.370737 (E_RNA) where: Base-Base interactions energy: -322.691 where: short stacking energy: -198.923 Base-Backbone interact. energy: 0.359 local terms energy: -457.039152 where: bonds (distance) C4'-P energy: -132.970 bonds (distance) P-C4' energy: -153.585 flat angles C4'-P-C4' energy: -125.360 flat angles P-C4'-P energy: -87.949 tors. eta vs tors. theta energy: 42.824 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: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3077.619941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.619941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.619941 (E_RNA) where: Base-Base interactions energy: -2130.436 where: short stacking energy: -891.314 Base-Backbone interact. energy: 0.196 local terms energy: -947.380081 where: bonds (distance) C4'-P energy: -168.780 bonds (distance) P-C4' energy: -181.466 flat angles C4'-P-C4' energy: -201.105 flat angles P-C4'-P energy: -128.720 tors. eta vs tors. theta energy: -267.310 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: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2909.226196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.226196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.226196 (E_RNA) where: Base-Base interactions energy: -1994.990 where: short stacking energy: -815.343 Base-Backbone interact. energy: 0.000 local terms energy: -914.236970 where: bonds (distance) C4'-P energy: -175.030 bonds (distance) P-C4' energy: -189.861 flat angles C4'-P-C4' energy: -200.169 flat angles P-C4'-P energy: -115.507 tors. eta vs tors. theta energy: -233.670 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: 3, replica: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2625.625136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.625136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.625136 (E_RNA) where: Base-Base interactions energy: -1713.946 where: short stacking energy: -723.137 Base-Backbone interact. energy: -4.072 local terms energy: -907.606327 where: bonds (distance) C4'-P energy: -179.687 bonds (distance) P-C4' energy: -178.835 flat angles C4'-P-C4' energy: -203.190 flat angles P-C4'-P energy: -127.685 tors. eta vs tors. theta energy: -218.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2431.731521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.731521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.731521 (E_RNA) where: Base-Base interactions energy: -1584.119 where: short stacking energy: -643.812 Base-Backbone interact. energy: -2.592 local terms energy: -845.020267 where: bonds (distance) C4'-P energy: -174.818 bonds (distance) P-C4' energy: -186.666 flat angles C4'-P-C4' energy: -181.342 flat angles P-C4'-P energy: -107.923 tors. eta vs tors. theta energy: -194.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2355.857246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.857246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.857246 (E_RNA) where: Base-Base interactions energy: -1579.524 where: short stacking energy: -654.783 Base-Backbone interact. energy: -3.536 local terms energy: -772.796933 where: bonds (distance) C4'-P energy: -150.959 bonds (distance) P-C4' energy: -152.480 flat angles C4'-P-C4' energy: -169.462 flat angles P-C4'-P energy: -122.573 tors. eta vs tors. theta energy: -177.324 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: 7 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2065.977209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.977209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.977209 (E_RNA) where: Base-Base interactions energy: -1349.308 where: short stacking energy: -569.437 Base-Backbone interact. energy: -4.776 local terms energy: -711.893330 where: bonds (distance) C4'-P energy: -160.804 bonds (distance) P-C4' energy: -171.810 flat angles C4'-P-C4' energy: -153.833 flat angles P-C4'-P energy: -83.282 tors. eta vs tors. theta energy: -142.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1618.991871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.991871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.991871 (E_RNA) where: Base-Base interactions energy: -956.485 where: short stacking energy: -438.079 Base-Backbone interact. energy: 4.323 local terms energy: -666.829920 where: bonds (distance) C4'-P energy: -157.049 bonds (distance) P-C4' energy: -172.101 flat angles C4'-P-C4' energy: -155.100 flat angles P-C4'-P energy: -100.787 tors. eta vs tors. theta energy: -81.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1219.274219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.274219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.274219 (E_RNA) where: Base-Base interactions energy: -627.577 where: short stacking energy: -308.677 Base-Backbone interact. energy: -0.532 local terms energy: -591.165572 where: bonds (distance) C4'-P energy: -151.633 bonds (distance) P-C4' energy: -170.063 flat angles C4'-P-C4' energy: -140.616 flat angles P-C4'-P energy: -98.241 tors. eta vs tors. theta energy: -30.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -902.029747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.029747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.029747 (E_RNA) where: Base-Base interactions energy: -402.818 where: short stacking energy: -239.353 Base-Backbone interact. energy: 4.490 local terms energy: -503.701953 where: bonds (distance) C4'-P energy: -152.849 bonds (distance) P-C4' energy: -140.064 flat angles C4'-P-C4' energy: -123.183 flat angles P-C4'-P energy: -92.630 tors. eta vs tors. theta energy: 5.023 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: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -773.127441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.127441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.127441 (E_RNA) where: Base-Base interactions energy: -344.542 where: short stacking energy: -208.712 Base-Backbone interact. energy: -4.032 local terms energy: -424.553551 where: bonds (distance) C4'-P energy: -123.735 bonds (distance) P-C4' energy: -148.032 flat angles C4'-P-C4' energy: -126.469 flat angles P-C4'-P energy: -60.195 tors. eta vs tors. theta energy: 33.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3063.657078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.657078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.657078 (E_RNA) where: Base-Base interactions energy: -2115.644 where: short stacking energy: -907.807 Base-Backbone interact. energy: 4.444 local terms energy: -952.456943 where: bonds (distance) C4'-P energy: -193.614 bonds (distance) P-C4' energy: -172.820 flat angles C4'-P-C4' energy: -194.949 flat angles P-C4'-P energy: -123.094 tors. eta vs tors. theta energy: -267.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2964.195964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.195964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.195964 (E_RNA) where: Base-Base interactions energy: -2017.115 where: short stacking energy: -816.025 Base-Backbone interact. energy: -4.290 local terms energy: -942.791304 where: bonds (distance) C4'-P energy: -161.650 bonds (distance) P-C4' energy: -198.528 flat angles C4'-P-C4' energy: -204.366 flat angles P-C4'-P energy: -143.678 tors. eta vs tors. theta energy: -234.569 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: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2614.964915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.964915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.964915 (E_RNA) where: Base-Base interactions energy: -1718.006 where: short stacking energy: -762.867 Base-Backbone interact. energy: -1.226 local terms energy: -895.732409 where: bonds (distance) C4'-P energy: -179.016 bonds (distance) P-C4' energy: -180.478 flat angles C4'-P-C4' energy: -185.765 flat angles P-C4'-P energy: -121.765 tors. eta vs tors. theta energy: -228.709 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: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2396.652967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.652967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.652967 (E_RNA) where: Base-Base interactions energy: -1574.741 where: short stacking energy: -683.038 Base-Backbone interact. energy: -1.884 local terms energy: -820.028376 where: bonds (distance) C4'-P energy: -163.502 bonds (distance) P-C4' energy: -180.374 flat angles C4'-P-C4' energy: -183.386 flat angles P-C4'-P energy: -111.997 tors. eta vs tors. theta energy: -180.769 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: 10 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2338.136261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.136261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.136261 (E_RNA) where: Base-Base interactions energy: -1509.881 where: short stacking energy: -650.546 Base-Backbone interact. energy: -3.867 local terms energy: -824.387749 where: bonds (distance) C4'-P energy: -154.393 bonds (distance) P-C4' energy: -186.301 flat angles C4'-P-C4' energy: -179.685 flat angles P-C4'-P energy: -116.464 tors. eta vs tors. theta energy: -187.545 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: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2111.261391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.261391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.261391 (E_RNA) where: Base-Base interactions energy: -1359.322 where: short stacking energy: -590.721 Base-Backbone interact. energy: -2.268 local terms energy: -749.671049 where: bonds (distance) C4'-P energy: -171.256 bonds (distance) P-C4' energy: -168.910 flat angles C4'-P-C4' energy: -162.704 flat angles P-C4'-P energy: -109.081 tors. eta vs tors. theta energy: -137.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1680.833371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.833371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.833371 (E_RNA) where: Base-Base interactions energy: -1011.576 where: short stacking energy: -465.559 Base-Backbone interact. energy: 4.860 local terms energy: -674.117219 where: bonds (distance) C4'-P energy: -157.788 bonds (distance) P-C4' energy: -160.157 flat angles C4'-P-C4' energy: -163.705 flat angles P-C4'-P energy: -97.610 tors. eta vs tors. theta energy: -94.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1273.424914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.424914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.424914 (E_RNA) where: Base-Base interactions energy: -698.572 where: short stacking energy: -315.354 Base-Backbone interact. energy: -1.869 local terms energy: -572.983390 where: bonds (distance) C4'-P energy: -131.720 bonds (distance) P-C4' energy: -155.158 flat angles C4'-P-C4' energy: -153.300 flat angles P-C4'-P energy: -82.902 tors. eta vs tors. theta energy: -49.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -864.534084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.534084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.534084 (E_RNA) where: Base-Base interactions energy: -409.821 where: short stacking energy: -249.691 Base-Backbone interact. energy: -1.721 local terms energy: -452.992044 where: bonds (distance) C4'-P energy: -128.630 bonds (distance) P-C4' energy: -148.118 flat angles C4'-P-C4' energy: -139.743 flat angles P-C4'-P energy: -47.168 tors. eta vs tors. theta energy: 10.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -699.274282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.274282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.274282 (E_RNA) where: Base-Base interactions energy: -260.545 where: short stacking energy: -160.752 Base-Backbone interact. energy: -0.169 local terms energy: -438.559880 where: bonds (distance) C4'-P energy: -167.358 bonds (distance) P-C4' energy: -156.098 flat angles C4'-P-C4' energy: -82.151 flat angles P-C4'-P energy: -70.741 tors. eta vs tors. theta energy: 37.788 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: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3051.064273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.064273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.064273 (E_RNA) where: Base-Base interactions energy: -2107.388 where: short stacking energy: -877.540 Base-Backbone interact. energy: 1.842 local terms energy: -945.517925 where: bonds (distance) C4'-P energy: -170.070 bonds (distance) P-C4' energy: -173.633 flat angles C4'-P-C4' energy: -198.704 flat angles P-C4'-P energy: -140.819 tors. eta vs tors. theta energy: -262.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2975.084447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.084447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.084447 (E_RNA) where: Base-Base interactions energy: -2022.735 where: short stacking energy: -836.334 Base-Backbone interact. energy: -3.786 local terms energy: -948.563678 where: bonds (distance) C4'-P energy: -163.129 bonds (distance) P-C4' energy: -183.813 flat angles C4'-P-C4' energy: -199.265 flat angles P-C4'-P energy: -143.810 tors. eta vs tors. theta energy: -258.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2667.990889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.990889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.990889 (E_RNA) where: Base-Base interactions energy: -1760.517 where: short stacking energy: -784.831 Base-Backbone interact. energy: -5.523 local terms energy: -901.950897 where: bonds (distance) C4'-P energy: -183.553 bonds (distance) P-C4' energy: -173.999 flat angles C4'-P-C4' energy: -189.093 flat angles P-C4'-P energy: -135.987 tors. eta vs tors. theta energy: -219.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2454.913917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.913917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.913917 (E_RNA) where: Base-Base interactions energy: -1635.593 where: short stacking energy: -714.864 Base-Backbone interact. energy: 3.530 local terms energy: -822.851256 where: bonds (distance) C4'-P energy: -143.827 bonds (distance) P-C4' energy: -162.500 flat angles C4'-P-C4' energy: -200.960 flat angles P-C4'-P energy: -113.700 tors. eta vs tors. theta energy: -201.865 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: 5, replica: 10 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2361.740808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.740808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.740808 (E_RNA) where: Base-Base interactions energy: -1552.630 where: short stacking energy: -667.846 Base-Backbone interact. energy: 1.827 local terms energy: -810.937976 where: bonds (distance) C4'-P energy: -157.495 bonds (distance) P-C4' energy: -168.702 flat angles C4'-P-C4' energy: -182.533 flat angles P-C4'-P energy: -126.579 tors. eta vs tors. theta energy: -175.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2153.720296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.720296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.720296 (E_RNA) where: Base-Base interactions energy: -1369.000 where: short stacking energy: -591.057 Base-Backbone interact. energy: -2.067 local terms energy: -782.653983 where: bonds (distance) C4'-P energy: -166.339 bonds (distance) P-C4' energy: -168.088 flat angles C4'-P-C4' energy: -175.640 flat angles P-C4'-P energy: -113.970 tors. eta vs tors. theta energy: -158.617 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: 2 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1693.231555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.231555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.231555 (E_RNA) where: Base-Base interactions energy: -1016.169 where: short stacking energy: -458.078 Base-Backbone interact. energy: -5.449 local terms energy: -671.614288 where: bonds (distance) C4'-P energy: -139.284 bonds (distance) P-C4' energy: -164.373 flat angles C4'-P-C4' energy: -165.760 flat angles P-C4'-P energy: -112.647 tors. eta vs tors. theta energy: -89.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1273.063124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.063124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.063124 (E_RNA) where: Base-Base interactions energy: -679.645 where: short stacking energy: -353.503 Base-Backbone interact. energy: 1.523 local terms energy: -594.942025 where: bonds (distance) C4'-P energy: -144.315 bonds (distance) P-C4' energy: -135.501 flat angles C4'-P-C4' energy: -155.406 flat angles P-C4'-P energy: -93.448 tors. eta vs tors. theta energy: -66.273 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: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -909.574929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.574929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.574929 (E_RNA) where: Base-Base interactions energy: -399.777 where: short stacking energy: -249.118 Base-Backbone interact. energy: 7.017 local terms energy: -516.814049 where: bonds (distance) C4'-P energy: -139.706 bonds (distance) P-C4' energy: -159.098 flat angles C4'-P-C4' energy: -137.729 flat angles P-C4'-P energy: -83.076 tors. eta vs tors. theta energy: 2.795 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: 10, replica: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -735.527446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.527446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.527446 (E_RNA) where: Base-Base interactions energy: -274.535 where: short stacking energy: -182.928 Base-Backbone interact. energy: 6.507 local terms energy: -467.499472 where: bonds (distance) C4'-P energy: -135.650 bonds (distance) P-C4' energy: -151.589 flat angles C4'-P-C4' energy: -121.409 flat angles P-C4'-P energy: -94.111 tors. eta vs tors. theta energy: 35.260 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: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3066.937768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.937768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.937768 (E_RNA) where: Base-Base interactions energy: -2112.918 where: short stacking energy: -902.293 Base-Backbone interact. energy: 0.771 local terms energy: -954.790498 where: bonds (distance) C4'-P energy: -192.049 bonds (distance) P-C4' energy: -179.184 flat angles C4'-P-C4' energy: -207.165 flat angles P-C4'-P energy: -106.204 tors. eta vs tors. theta energy: -270.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2972.426460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.426460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.426460 (E_RNA) where: Base-Base interactions energy: -2064.160 where: short stacking energy: -832.688 Base-Backbone interact. energy: -5.504 local terms energy: -902.762373 where: bonds (distance) C4'-P energy: -176.817 bonds (distance) P-C4' energy: -168.817 flat angles C4'-P-C4' energy: -202.927 flat angles P-C4'-P energy: -123.527 tors. eta vs tors. theta energy: -230.675 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: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2641.846751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.846751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.846751 (E_RNA) where: Base-Base interactions energy: -1785.663 where: short stacking energy: -760.889 Base-Backbone interact. energy: -5.701 local terms energy: -850.482161 where: bonds (distance) C4'-P energy: -167.911 bonds (distance) P-C4' energy: -161.395 flat angles C4'-P-C4' energy: -182.790 flat angles P-C4'-P energy: -122.934 tors. eta vs tors. theta energy: -215.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2395.882194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.882194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.882194 (E_RNA) where: Base-Base interactions energy: -1568.072 where: short stacking energy: -683.391 Base-Backbone interact. energy: -3.337 local terms energy: -824.473601 where: bonds (distance) C4'-P energy: -161.370 bonds (distance) P-C4' energy: -162.761 flat angles C4'-P-C4' energy: -177.225 flat angles P-C4'-P energy: -123.835 tors. eta vs tors. theta energy: -199.283 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: 10 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2363.885005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.885005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.885005 (E_RNA) where: Base-Base interactions energy: -1539.230 where: short stacking energy: -644.815 Base-Backbone interact. energy: 3.573 local terms energy: -828.228161 where: bonds (distance) C4'-P energy: -156.946 bonds (distance) P-C4' energy: -184.636 flat angles C4'-P-C4' energy: -181.747 flat angles P-C4'-P energy: -120.978 tors. eta vs tors. theta energy: -183.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2186.013912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.013912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.013912 (E_RNA) where: Base-Base interactions energy: -1420.590 where: short stacking energy: -624.623 Base-Backbone interact. energy: -6.499 local terms energy: -758.924997 where: bonds (distance) C4'-P energy: -149.184 bonds (distance) P-C4' energy: -174.660 flat angles C4'-P-C4' energy: -169.591 flat angles P-C4'-P energy: -96.873 tors. eta vs tors. theta energy: -168.617 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: 2 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1756.254514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.254514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.254514 (E_RNA) where: Base-Base interactions energy: -1085.476 where: short stacking energy: -491.402 Base-Backbone interact. energy: -4.316 local terms energy: -666.461749 where: bonds (distance) C4'-P energy: -130.184 bonds (distance) P-C4' energy: -173.497 flat angles C4'-P-C4' energy: -151.181 flat angles P-C4'-P energy: -98.798 tors. eta vs tors. theta energy: -112.801 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: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1203.663658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.663658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.663658 (E_RNA) where: Base-Base interactions energy: -669.307 where: short stacking energy: -334.520 Base-Backbone interact. energy: -2.268 local terms energy: -532.089311 where: bonds (distance) C4'-P energy: -143.491 bonds (distance) P-C4' energy: -158.767 flat angles C4'-P-C4' energy: -121.539 flat angles P-C4'-P energy: -90.370 tors. eta vs tors. theta energy: -17.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -880.154170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.154170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.154170 (E_RNA) where: Base-Base interactions energy: -381.665 where: short stacking energy: -217.583 Base-Backbone interact. energy: 4.653 local terms energy: -503.142411 where: bonds (distance) C4'-P energy: -161.234 bonds (distance) P-C4' energy: -148.593 flat angles C4'-P-C4' energy: -121.993 flat angles P-C4'-P energy: -94.307 tors. eta vs tors. theta energy: 22.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -777.983891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.983891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.983891 (E_RNA) where: Base-Base interactions energy: -344.811 where: short stacking energy: -203.461 Base-Backbone interact. energy: -0.797 local terms energy: -432.375684 where: bonds (distance) C4'-P energy: -131.146 bonds (distance) P-C4' energy: -165.318 flat angles C4'-P-C4' energy: -95.377 flat angles P-C4'-P energy: -71.563 tors. eta vs tors. theta energy: 31.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3086.167277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.167277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.167277 (E_RNA) where: Base-Base interactions energy: -2106.421 where: short stacking energy: -895.211 Base-Backbone interact. energy: -0.891 local terms energy: -978.855233 where: bonds (distance) C4'-P energy: -182.483 bonds (distance) P-C4' energy: -170.813 flat angles C4'-P-C4' energy: -211.943 flat angles P-C4'-P energy: -134.177 tors. eta vs tors. theta energy: -279.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2926.472612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.472612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.472612 (E_RNA) where: Base-Base interactions energy: -1986.771 where: short stacking energy: -800.828 Base-Backbone interact. energy: -5.316 local terms energy: -934.385985 where: bonds (distance) C4'-P energy: -177.801 bonds (distance) P-C4' energy: -171.748 flat angles C4'-P-C4' energy: -197.522 flat angles P-C4'-P energy: -138.708 tors. eta vs tors. theta energy: -248.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2628.327409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.327409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.327409 (E_RNA) where: Base-Base interactions energy: -1759.343 where: short stacking energy: -753.656 Base-Backbone interact. energy: -4.592 local terms energy: -864.392689 where: bonds (distance) C4'-P energy: -166.680 bonds (distance) P-C4' energy: -136.527 flat angles C4'-P-C4' energy: -193.918 flat angles P-C4'-P energy: -148.481 tors. eta vs tors. theta energy: -218.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2480.012594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.012594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.012594 (E_RNA) where: Base-Base interactions energy: -1642.037 where: short stacking energy: -709.355 Base-Backbone interact. energy: -3.269 local terms energy: -834.705890 where: bonds (distance) C4'-P energy: -167.880 bonds (distance) P-C4' energy: -151.853 flat angles C4'-P-C4' energy: -193.430 flat angles P-C4'-P energy: -129.797 tors. eta vs tors. theta energy: -191.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2415.682047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.682047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.682047 (E_RNA) where: Base-Base interactions energy: -1571.318 where: short stacking energy: -689.542 Base-Backbone interact. energy: -0.012 local terms energy: -844.351736 where: bonds (distance) C4'-P energy: -169.909 bonds (distance) P-C4' energy: -161.119 flat angles C4'-P-C4' energy: -196.632 flat angles P-C4'-P energy: -118.261 tors. eta vs tors. theta energy: -198.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2178.519349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.519349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.519349 (E_RNA) where: Base-Base interactions energy: -1423.888 where: short stacking energy: -638.583 Base-Backbone interact. energy: 2.192 local terms energy: -756.822910 where: bonds (distance) C4'-P energy: -161.912 bonds (distance) P-C4' energy: -147.076 flat angles C4'-P-C4' energy: -160.018 flat angles P-C4'-P energy: -119.887 tors. eta vs tors. theta energy: -167.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1668.560729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.560729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.560729 (E_RNA) where: Base-Base interactions energy: -1025.685 where: short stacking energy: -457.828 Base-Backbone interact. energy: 0.339 local terms energy: -643.214717 where: bonds (distance) C4'-P energy: -150.446 bonds (distance) P-C4' energy: -161.958 flat angles C4'-P-C4' energy: -150.381 flat angles P-C4'-P energy: -87.809 tors. eta vs tors. theta energy: -92.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1201.854108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.854108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.854108 (E_RNA) where: Base-Base interactions energy: -642.906 where: short stacking energy: -334.367 Base-Backbone interact. energy: -2.108 local terms energy: -556.840300 where: bonds (distance) C4'-P energy: -160.286 bonds (distance) P-C4' energy: -134.263 flat angles C4'-P-C4' energy: -131.321 flat angles P-C4'-P energy: -92.232 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: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -844.260658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.260658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.260658 (E_RNA) where: Base-Base interactions energy: -425.254 where: short stacking energy: -225.883 Base-Backbone interact. energy: 0.565 local terms energy: -419.571673 where: bonds (distance) C4'-P energy: -113.522 bonds (distance) P-C4' energy: -142.467 flat angles C4'-P-C4' energy: -122.849 flat angles P-C4'-P energy: -56.291 tors. eta vs tors. theta energy: 15.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -677.650170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.650170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.650170 (E_RNA) where: Base-Base interactions energy: -285.274 where: short stacking energy: -185.154 Base-Backbone interact. energy: -1.049 local terms energy: -391.327209 where: bonds (distance) C4'-P energy: -107.848 bonds (distance) P-C4' energy: -144.402 flat angles C4'-P-C4' energy: -133.033 flat angles P-C4'-P energy: -52.466 tors. eta vs tors. theta energy: 46.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3072.355457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.355457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.355457 (E_RNA) where: Base-Base interactions energy: -2100.287 where: short stacking energy: -885.214 Base-Backbone interact. energy: 0.259 local terms energy: -972.327034 where: bonds (distance) C4'-P energy: -187.255 bonds (distance) P-C4' energy: -174.173 flat angles C4'-P-C4' energy: -209.042 flat angles P-C4'-P energy: -145.347 tors. eta vs tors. theta energy: -256.511 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: 255 Temperature: 0.950000 Total energy: -2923.630537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.630537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.630537 (E_RNA) where: Base-Base interactions energy: -2022.007 where: short stacking energy: -825.368 Base-Backbone interact. energy: -2.799 local terms energy: -898.824157 where: bonds (distance) C4'-P energy: -159.216 bonds (distance) P-C4' energy: -167.444 flat angles C4'-P-C4' energy: -207.724 flat angles P-C4'-P energy: -125.100 tors. eta vs tors. theta energy: -239.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2637.565287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.565287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.565287 (E_RNA) where: Base-Base interactions energy: -1773.930 where: short stacking energy: -731.472 Base-Backbone interact. energy: -7.101 local terms energy: -856.534253 where: bonds (distance) C4'-P energy: -163.598 bonds (distance) P-C4' energy: -180.488 flat angles C4'-P-C4' energy: -183.981 flat angles P-C4'-P energy: -124.520 tors. eta vs tors. theta energy: -203.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2497.068894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.068894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.068894 (E_RNA) where: Base-Base interactions energy: -1651.667 where: short stacking energy: -703.325 Base-Backbone interact. energy: -3.701 local terms energy: -841.701320 where: bonds (distance) C4'-P energy: -179.571 bonds (distance) P-C4' energy: -169.751 flat angles C4'-P-C4' energy: -182.516 flat angles P-C4'-P energy: -114.163 tors. eta vs tors. theta energy: -195.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2401.235514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.235514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.235514 (E_RNA) where: Base-Base interactions energy: -1594.836 where: short stacking energy: -700.323 Base-Backbone interact. energy: 2.549 local terms energy: -808.948348 where: bonds (distance) C4'-P energy: -159.217 bonds (distance) P-C4' energy: -161.279 flat angles C4'-P-C4' energy: -178.658 flat angles P-C4'-P energy: -112.747 tors. eta vs tors. theta energy: -197.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2211.415723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.415723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.415723 (E_RNA) where: Base-Base interactions energy: -1429.284 where: short stacking energy: -619.112 Base-Backbone interact. energy: -5.176 local terms energy: -776.955361 where: bonds (distance) C4'-P energy: -151.502 bonds (distance) P-C4' energy: -165.313 flat angles C4'-P-C4' energy: -182.631 flat angles P-C4'-P energy: -116.787 tors. eta vs tors. theta energy: -160.723 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: 7, replica: 2 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1683.542035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.542035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.542035 (E_RNA) where: Base-Base interactions energy: -1011.334 where: short stacking energy: -460.711 Base-Backbone interact. energy: 1.734 local terms energy: -673.942126 where: bonds (distance) C4'-P energy: -157.747 bonds (distance) P-C4' energy: -165.330 flat angles C4'-P-C4' energy: -172.551 flat angles P-C4'-P energy: -99.474 tors. eta vs tors. theta energy: -78.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1211.647870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.647870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.647870 (E_RNA) where: Base-Base interactions energy: -636.549 where: short stacking energy: -337.433 Base-Backbone interact. energy: -1.550 local terms energy: -573.549214 where: bonds (distance) C4'-P energy: -131.950 bonds (distance) P-C4' energy: -149.685 flat angles C4'-P-C4' energy: -161.778 flat angles P-C4'-P energy: -98.008 tors. eta vs tors. theta energy: -32.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -873.602970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.602970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.602970 (E_RNA) where: Base-Base interactions energy: -383.519 where: short stacking energy: -249.707 Base-Backbone interact. energy: 0.092 local terms energy: -490.176128 where: bonds (distance) C4'-P energy: -150.474 bonds (distance) P-C4' energy: -139.466 flat angles C4'-P-C4' energy: -136.753 flat angles P-C4'-P energy: -72.451 tors. eta vs tors. theta energy: 8.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -651.639952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.639952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.639952 (E_RNA) where: Base-Base interactions energy: -215.222 where: short stacking energy: -172.080 Base-Backbone interact. energy: 3.485 local terms energy: -439.902722 where: bonds (distance) C4'-P energy: -134.008 bonds (distance) P-C4' energy: -154.971 flat angles C4'-P-C4' energy: -106.992 flat angles P-C4'-P energy: -88.587 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: 1, replica: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3062.606041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.606041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.606041 (E_RNA) where: Base-Base interactions energy: -2085.515 where: short stacking energy: -896.588 Base-Backbone interact. energy: 2.071 local terms energy: -979.161594 where: bonds (distance) C4'-P energy: -183.125 bonds (distance) P-C4' energy: -194.632 flat angles C4'-P-C4' energy: -209.719 flat angles P-C4'-P energy: -131.189 tors. eta vs tors. theta energy: -260.496 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: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2929.101970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.101970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.101970 (E_RNA) where: Base-Base interactions energy: -2008.575 where: short stacking energy: -820.636 Base-Backbone interact. energy: -2.344 local terms energy: -918.183240 where: bonds (distance) C4'-P energy: -179.092 bonds (distance) P-C4' energy: -166.483 flat angles C4'-P-C4' energy: -196.477 flat angles P-C4'-P energy: -137.936 tors. eta vs tors. theta energy: -238.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2656.676596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.676596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.676596 (E_RNA) where: Base-Base interactions energy: -1777.972 where: short stacking energy: -732.816 Base-Backbone interact. energy: -2.132 local terms energy: -876.573141 where: bonds (distance) C4'-P energy: -158.742 bonds (distance) P-C4' energy: -180.443 flat angles C4'-P-C4' energy: -189.772 flat angles P-C4'-P energy: -123.400 tors. eta vs tors. theta energy: -224.215 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: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2529.976237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.976237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.976237 (E_RNA) where: Base-Base interactions energy: -1690.826 where: short stacking energy: -728.049 Base-Backbone interact. energy: -2.295 local terms energy: -836.854782 where: bonds (distance) C4'-P energy: -145.434 bonds (distance) P-C4' energy: -174.861 flat angles C4'-P-C4' energy: -192.518 flat angles P-C4'-P energy: -112.222 tors. eta vs tors. theta energy: -211.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2425.706905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.706905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.706905 (E_RNA) where: Base-Base interactions energy: -1618.485 where: short stacking energy: -687.750 Base-Backbone interact. energy: -1.028 local terms energy: -806.193907 where: bonds (distance) C4'-P energy: -144.525 bonds (distance) P-C4' energy: -181.410 flat angles C4'-P-C4' energy: -185.963 flat angles P-C4'-P energy: -105.864 tors. eta vs tors. theta energy: -188.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2172.259536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.259536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.259536 (E_RNA) where: Base-Base interactions energy: -1438.328 where: short stacking energy: -610.967 Base-Backbone interact. energy: -1.264 local terms energy: -732.667632 where: bonds (distance) C4'-P energy: -139.906 bonds (distance) P-C4' energy: -156.812 flat angles C4'-P-C4' energy: -163.693 flat angles P-C4'-P energy: -113.744 tors. eta vs tors. theta energy: -158.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1596.302238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.302238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.302238 (E_RNA) where: Base-Base interactions energy: -958.912 where: short stacking energy: -432.064 Base-Backbone interact. energy: 2.416 local terms energy: -639.806704 where: bonds (distance) C4'-P energy: -147.019 bonds (distance) P-C4' energy: -165.336 flat angles C4'-P-C4' energy: -155.901 flat angles P-C4'-P energy: -93.269 tors. eta vs tors. theta energy: -78.282 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: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1269.200276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.200276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.200276 (E_RNA) where: Base-Base interactions energy: -715.986 where: short stacking energy: -357.824 Base-Backbone interact. energy: 2.580 local terms energy: -555.794386 where: bonds (distance) C4'-P energy: -156.778 bonds (distance) P-C4' energy: -155.410 flat angles C4'-P-C4' energy: -119.578 flat angles P-C4'-P energy: -62.902 tors. eta vs tors. theta energy: -61.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -893.252261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.252261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.252261 (E_RNA) where: Base-Base interactions energy: -386.744 where: short stacking energy: -214.596 Base-Backbone interact. energy: 1.886 local terms energy: -508.394693 where: bonds (distance) C4'-P energy: -133.672 bonds (distance) P-C4' energy: -160.968 flat angles C4'-P-C4' energy: -145.767 flat angles P-C4'-P energy: -88.797 tors. eta vs tors. theta energy: 20.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -695.071314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.071314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.071314 (E_RNA) where: Base-Base interactions energy: -255.163 where: short stacking energy: -200.900 Base-Backbone interact. energy: 0.822 local terms energy: -440.730214 where: bonds (distance) C4'-P energy: -140.080 bonds (distance) P-C4' energy: -131.255 flat angles C4'-P-C4' energy: -130.928 flat angles P-C4'-P energy: -72.476 tors. eta vs tors. theta energy: 34.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3024.975439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.975439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.975439 (E_RNA) where: Base-Base interactions energy: -2045.472 where: short stacking energy: -851.263 Base-Backbone interact. energy: 3.442 local terms energy: -982.945794 where: bonds (distance) C4'-P energy: -189.078 bonds (distance) P-C4' energy: -191.294 flat angles C4'-P-C4' energy: -206.247 flat angles P-C4'-P energy: -133.389 tors. eta vs tors. theta energy: -262.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2908.098658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.098658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.098658 (E_RNA) where: Base-Base interactions energy: -1984.164 where: short stacking energy: -815.487 Base-Backbone interact. energy: -3.207 local terms energy: -920.727861 where: bonds (distance) C4'-P energy: -175.308 bonds (distance) P-C4' energy: -175.673 flat angles C4'-P-C4' energy: -192.331 flat angles P-C4'-P energy: -126.703 tors. eta vs tors. theta energy: -250.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2636.272291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.272291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.272291 (E_RNA) where: Base-Base interactions energy: -1799.456 where: short stacking energy: -751.215 Base-Backbone interact. energy: -3.359 local terms energy: -833.456677 where: bonds (distance) C4'-P energy: -161.104 bonds (distance) P-C4' energy: -168.926 flat angles C4'-P-C4' energy: -170.734 flat angles P-C4'-P energy: -128.325 tors. eta vs tors. theta energy: -204.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2499.526048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.526048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.526048 (E_RNA) where: Base-Base interactions energy: -1682.155 where: short stacking energy: -706.148 Base-Backbone interact. energy: 6.978 local terms energy: -824.349042 where: bonds (distance) C4'-P energy: -162.218 bonds (distance) P-C4' energy: -154.540 flat angles C4'-P-C4' energy: -186.476 flat angles P-C4'-P energy: -119.938 tors. eta vs tors. theta energy: -201.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2404.318493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.318493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.318493 (E_RNA) where: Base-Base interactions energy: -1596.488 where: short stacking energy: -703.987 Base-Backbone interact. energy: 0.081 local terms energy: -807.911008 where: bonds (distance) C4'-P energy: -154.971 bonds (distance) P-C4' energy: -158.828 flat angles C4'-P-C4' energy: -193.819 flat angles P-C4'-P energy: -104.462 tors. eta vs tors. theta energy: -195.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2189.384357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.384357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.384357 (E_RNA) where: Base-Base interactions energy: -1459.833 where: short stacking energy: -583.088 Base-Backbone interact. energy: 0.436 local terms energy: -729.987214 where: bonds (distance) C4'-P energy: -164.238 bonds (distance) P-C4' energy: -173.009 flat angles C4'-P-C4' energy: -157.456 flat angles P-C4'-P energy: -87.552 tors. eta vs tors. theta energy: -147.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1584.028375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.028375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.028375 (E_RNA) where: Base-Base interactions energy: -966.240 where: short stacking energy: -446.802 Base-Backbone interact. energy: -4.335 local terms energy: -613.453633 where: bonds (distance) C4'-P energy: -163.423 bonds (distance) P-C4' energy: -149.640 flat angles C4'-P-C4' energy: -153.000 flat angles P-C4'-P energy: -76.863 tors. eta vs tors. theta energy: -70.527 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: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1264.155628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.155628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.155628 (E_RNA) where: Base-Base interactions energy: -737.844 where: short stacking energy: -382.806 Base-Backbone interact. energy: 2.140 local terms energy: -528.451703 where: bonds (distance) C4'-P energy: -140.419 bonds (distance) P-C4' energy: -130.378 flat angles C4'-P-C4' energy: -132.512 flat angles P-C4'-P energy: -88.532 tors. eta vs tors. theta energy: -36.611 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: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -917.355303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.355303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.355303 (E_RNA) where: Base-Base interactions energy: -410.867 where: short stacking energy: -253.406 Base-Backbone interact. energy: 0.072 local terms energy: -506.559951 where: bonds (distance) C4'-P energy: -138.322 bonds (distance) P-C4' energy: -158.312 flat angles C4'-P-C4' energy: -120.392 flat angles P-C4'-P energy: -75.223 tors. eta vs tors. theta energy: -14.312 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: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -653.177904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.177904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.177904 (E_RNA) where: Base-Base interactions energy: -221.120 where: short stacking energy: -176.382 Base-Backbone interact. energy: 13.126 local terms energy: -445.184301 where: bonds (distance) C4'-P energy: -159.523 bonds (distance) P-C4' energy: -166.898 flat angles C4'-P-C4' energy: -114.906 flat angles P-C4'-P energy: -54.818 tors. eta vs tors. theta energy: 50.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3038.062044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.062044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.062044 (E_RNA) where: Base-Base interactions energy: -2068.910 where: short stacking energy: -879.734 Base-Backbone interact. energy: -2.204 local terms energy: -966.947915 where: bonds (distance) C4'-P energy: -181.883 bonds (distance) P-C4' energy: -180.657 flat angles C4'-P-C4' energy: -202.923 flat angles P-C4'-P energy: -148.155 tors. eta vs tors. theta energy: -253.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2924.935147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.935147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.935147 (E_RNA) where: Base-Base interactions energy: -1996.907 where: short stacking energy: -809.058 Base-Backbone interact. energy: -3.694 local terms energy: -924.334345 where: bonds (distance) C4'-P energy: -179.697 bonds (distance) P-C4' energy: -171.305 flat angles C4'-P-C4' energy: -196.579 flat angles P-C4'-P energy: -128.330 tors. eta vs tors. theta energy: -248.423 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: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2651.480919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.480919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.480919 (E_RNA) where: Base-Base interactions energy: -1798.369 where: short stacking energy: -728.278 Base-Backbone interact. energy: -5.163 local terms energy: -847.949487 where: bonds (distance) C4'-P energy: -157.067 bonds (distance) P-C4' energy: -173.576 flat angles C4'-P-C4' energy: -183.486 flat angles P-C4'-P energy: -124.321 tors. eta vs tors. theta energy: -209.499 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: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2537.404975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.404975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.404975 (E_RNA) where: Base-Base interactions energy: -1659.102 where: short stacking energy: -721.730 Base-Backbone interact. energy: -3.909 local terms energy: -874.394405 where: bonds (distance) C4'-P energy: -167.087 bonds (distance) P-C4' energy: -177.959 flat angles C4'-P-C4' energy: -183.402 flat angles P-C4'-P energy: -121.269 tors. eta vs tors. theta energy: -224.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2425.264760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.264760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.264760 (E_RNA) where: Base-Base interactions energy: -1594.730 where: short stacking energy: -683.388 Base-Backbone interact. energy: 0.614 local terms energy: -831.148876 where: bonds (distance) C4'-P energy: -163.132 bonds (distance) P-C4' energy: -168.496 flat angles C4'-P-C4' energy: -180.305 flat angles P-C4'-P energy: -119.725 tors. eta vs tors. theta energy: -199.490 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: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2264.012317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.012317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.012317 (E_RNA) where: Base-Base interactions energy: -1535.379 where: short stacking energy: -648.917 Base-Backbone interact. energy: 5.071 local terms energy: -733.703935 where: bonds (distance) C4'-P energy: -136.046 bonds (distance) P-C4' energy: -154.657 flat angles C4'-P-C4' energy: -176.471 flat angles P-C4'-P energy: -102.051 tors. eta vs tors. theta energy: -164.479 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: 2 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1585.322020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.322020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.322020 (E_RNA) where: Base-Base interactions energy: -988.569 where: short stacking energy: -448.711 Base-Backbone interact. energy: -0.572 local terms energy: -596.180992 where: bonds (distance) C4'-P energy: -133.094 bonds (distance) P-C4' energy: -155.580 flat angles C4'-P-C4' energy: -146.880 flat angles P-C4'-P energy: -99.059 tors. eta vs tors. theta energy: -61.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1260.241947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.241947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.241947 (E_RNA) where: Base-Base interactions energy: -728.346 where: short stacking energy: -315.428 Base-Backbone interact. energy: -1.946 local terms energy: -529.950344 where: bonds (distance) C4'-P energy: -123.242 bonds (distance) P-C4' energy: -167.314 flat angles C4'-P-C4' energy: -152.763 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: -16.906 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: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -884.503364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.503364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.503364 (E_RNA) where: Base-Base interactions energy: -425.475 where: short stacking energy: -222.069 Base-Backbone interact. energy: 10.178 local terms energy: -469.206287 where: bonds (distance) C4'-P energy: -135.437 bonds (distance) P-C4' energy: -168.216 flat angles C4'-P-C4' energy: -124.920 flat angles P-C4'-P energy: -61.057 tors. eta vs tors. theta energy: 20.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -659.843685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.843685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.843685 (E_RNA) where: Base-Base interactions energy: -225.042 where: short stacking energy: -170.734 Base-Backbone interact. energy: 4.073 local terms energy: -438.874056 where: bonds (distance) C4'-P energy: -133.025 bonds (distance) P-C4' energy: -159.915 flat angles C4'-P-C4' energy: -120.269 flat angles P-C4'-P energy: -63.020 tors. eta vs tors. theta energy: 37.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3063.098228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.098228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.098228 (E_RNA) where: Base-Base interactions energy: -2093.125 where: short stacking energy: -869.924 Base-Backbone interact. energy: -4.710 local terms energy: -965.263164 where: bonds (distance) C4'-P energy: -185.897 bonds (distance) P-C4' energy: -181.233 flat angles C4'-P-C4' energy: -215.672 flat angles P-C4'-P energy: -123.150 tors. eta vs tors. theta energy: -259.311 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: 259 Temperature: 0.950000 Total energy: -2880.772696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.772696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.772696 (E_RNA) where: Base-Base interactions energy: -1959.591 where: short stacking energy: -806.081 Base-Backbone interact. energy: -1.068 local terms energy: -920.114292 where: bonds (distance) C4'-P energy: -173.421 bonds (distance) P-C4' energy: -167.070 flat angles C4'-P-C4' energy: -203.794 flat angles P-C4'-P energy: -146.716 tors. eta vs tors. theta energy: -229.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2737.484616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.484616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.484616 (E_RNA) where: Base-Base interactions energy: -1843.918 where: short stacking energy: -792.488 Base-Backbone interact. energy: 3.859 local terms energy: -897.425449 where: bonds (distance) C4'-P energy: -171.207 bonds (distance) P-C4' energy: -164.123 flat angles C4'-P-C4' energy: -193.231 flat angles P-C4'-P energy: -139.855 tors. eta vs tors. theta energy: -229.009 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: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2531.015141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.015141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.015141 (E_RNA) where: Base-Base interactions energy: -1669.014 where: short stacking energy: -719.296 Base-Backbone interact. energy: -1.910 local terms energy: -860.091148 where: bonds (distance) C4'-P energy: -162.800 bonds (distance) P-C4' energy: -171.986 flat angles C4'-P-C4' energy: -193.729 flat angles P-C4'-P energy: -118.627 tors. eta vs tors. theta energy: -212.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2400.544488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.544488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.544488 (E_RNA) where: Base-Base interactions energy: -1552.909 where: short stacking energy: -673.185 Base-Backbone interact. energy: -3.814 local terms energy: -843.821480 where: bonds (distance) C4'-P energy: -150.853 bonds (distance) P-C4' energy: -186.509 flat angles C4'-P-C4' energy: -191.366 flat angles P-C4'-P energy: -127.768 tors. eta vs tors. theta energy: -187.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2223.973371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.973371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.973371 (E_RNA) where: Base-Base interactions energy: -1486.241 where: short stacking energy: -614.874 Base-Backbone interact. energy: -4.592 local terms energy: -733.141242 where: bonds (distance) C4'-P energy: -145.183 bonds (distance) P-C4' energy: -164.675 flat angles C4'-P-C4' energy: -177.200 flat angles P-C4'-P energy: -97.780 tors. eta vs tors. theta energy: -148.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1594.939501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.939501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.939501 (E_RNA) where: Base-Base interactions energy: -949.041 where: short stacking energy: -444.827 Base-Backbone interact. energy: -4.225 local terms energy: -641.673175 where: bonds (distance) C4'-P energy: -157.880 bonds (distance) P-C4' energy: -166.724 flat angles C4'-P-C4' energy: -164.759 flat angles P-C4'-P energy: -81.722 tors. eta vs tors. theta energy: -70.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1312.479852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.479852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.479852 (E_RNA) where: Base-Base interactions energy: -716.625 where: short stacking energy: -354.810 Base-Backbone interact. energy: 2.827 local terms energy: -598.682288 where: bonds (distance) C4'-P energy: -123.475 bonds (distance) P-C4' energy: -188.568 flat angles C4'-P-C4' energy: -157.812 flat angles P-C4'-P energy: -87.407 tors. eta vs tors. theta energy: -41.420 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: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -867.048584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.048584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.048584 (E_RNA) where: Base-Base interactions energy: -382.692 where: short stacking energy: -255.895 Base-Backbone interact. energy: 0.332 local terms energy: -484.688724 where: bonds (distance) C4'-P energy: -136.167 bonds (distance) P-C4' energy: -155.096 flat angles C4'-P-C4' energy: -136.198 flat angles P-C4'-P energy: -64.431 tors. eta vs tors. theta energy: 7.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -648.292902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.292902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.292902 (E_RNA) where: Base-Base interactions energy: -190.604 where: short stacking energy: -143.503 Base-Backbone interact. energy: -4.192 local terms energy: -453.496768 where: bonds (distance) C4'-P energy: -136.921 bonds (distance) P-C4' energy: -159.663 flat angles C4'-P-C4' energy: -128.346 flat angles P-C4'-P energy: -72.653 tors. eta vs tors. theta energy: 44.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3046.763367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.763367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.763367 (E_RNA) where: Base-Base interactions energy: -2090.217 where: short stacking energy: -868.498 Base-Backbone interact. energy: -5.286 local terms energy: -951.260099 where: bonds (distance) C4'-P energy: -177.908 bonds (distance) P-C4' energy: -178.180 flat angles C4'-P-C4' energy: -195.759 flat angles P-C4'-P energy: -124.968 tors. eta vs tors. theta energy: -274.446 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: 6 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2902.743687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.743687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.743687 (E_RNA) where: Base-Base interactions energy: -1980.741 where: short stacking energy: -807.018 Base-Backbone interact. energy: -4.990 local terms energy: -917.013410 where: bonds (distance) C4'-P energy: -172.879 bonds (distance) P-C4' energy: -184.652 flat angles C4'-P-C4' energy: -184.546 flat angles P-C4'-P energy: -135.407 tors. eta vs tors. theta energy: -239.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2669.341232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.341232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.341232 (E_RNA) where: Base-Base interactions energy: -1804.503 where: short stacking energy: -726.783 Base-Backbone interact. energy: -2.317 local terms energy: -862.522096 where: bonds (distance) C4'-P energy: -177.322 bonds (distance) P-C4' energy: -144.352 flat angles C4'-P-C4' energy: -193.807 flat angles P-C4'-P energy: -138.856 tors. eta vs tors. theta energy: -208.185 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: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2528.110399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.110399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.110399 (E_RNA) where: Base-Base interactions energy: -1682.370 where: short stacking energy: -708.141 Base-Backbone interact. energy: -1.922 local terms energy: -843.818546 where: bonds (distance) C4'-P energy: -162.306 bonds (distance) P-C4' energy: -176.877 flat angles C4'-P-C4' energy: -179.462 flat angles P-C4'-P energy: -122.788 tors. eta vs tors. theta energy: -202.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2392.674972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.674972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.674972 (E_RNA) where: Base-Base interactions energy: -1566.716 where: short stacking energy: -709.633 Base-Backbone interact. energy: -4.142 local terms energy: -821.817107 where: bonds (distance) C4'-P energy: -139.800 bonds (distance) P-C4' energy: -163.378 flat angles C4'-P-C4' energy: -191.279 flat angles P-C4'-P energy: -122.809 tors. eta vs tors. theta energy: -204.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2304.070395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.070395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.070395 (E_RNA) where: Base-Base interactions energy: -1578.019 where: short stacking energy: -655.032 Base-Backbone interact. energy: -2.481 local terms energy: -723.570945 where: bonds (distance) C4'-P energy: -142.492 bonds (distance) P-C4' energy: -155.347 flat angles C4'-P-C4' energy: -153.627 flat angles P-C4'-P energy: -99.888 tors. eta vs tors. theta energy: -172.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1624.301694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.301694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.301694 (E_RNA) where: Base-Base interactions energy: -950.540 where: short stacking energy: -449.244 Base-Backbone interact. energy: -0.294 local terms energy: -673.467284 where: bonds (distance) C4'-P energy: -151.887 bonds (distance) P-C4' energy: -164.236 flat angles C4'-P-C4' energy: -174.023 flat angles P-C4'-P energy: -98.318 tors. eta vs tors. theta energy: -85.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1279.403854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.403854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.403854 (E_RNA) where: Base-Base interactions energy: -688.186 where: short stacking energy: -322.833 Base-Backbone interact. energy: -4.127 local terms energy: -587.090187 where: bonds (distance) C4'-P energy: -163.111 bonds (distance) P-C4' energy: -152.342 flat angles C4'-P-C4' energy: -148.352 flat angles P-C4'-P energy: -99.113 tors. eta vs tors. theta energy: -24.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -839.754708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.754708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.754708 (E_RNA) where: Base-Base interactions energy: -362.693 where: short stacking energy: -200.752 Base-Backbone interact. energy: 7.738 local terms energy: -484.800020 where: bonds (distance) C4'-P energy: -148.896 bonds (distance) P-C4' energy: -167.091 flat angles C4'-P-C4' energy: -106.736 flat angles P-C4'-P energy: -78.003 tors. eta vs tors. theta energy: 15.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -655.588181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.588181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.588181 (E_RNA) where: Base-Base interactions energy: -217.847 where: short stacking energy: -177.860 Base-Backbone interact. energy: -1.760 local terms energy: -435.981008 where: bonds (distance) C4'-P energy: -143.346 bonds (distance) P-C4' energy: -135.332 flat angles C4'-P-C4' energy: -106.484 flat angles P-C4'-P energy: -86.272 tors. eta vs tors. theta energy: 35.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3059.984074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.984074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.984074 (E_RNA) where: Base-Base interactions energy: -2099.204 where: short stacking energy: -899.641 Base-Backbone interact. energy: -1.607 local terms energy: -959.172660 where: bonds (distance) C4'-P energy: -173.084 bonds (distance) P-C4' energy: -187.335 flat angles C4'-P-C4' energy: -200.560 flat angles P-C4'-P energy: -135.414 tors. eta vs tors. theta energy: -262.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2926.963997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.963997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.963997 (E_RNA) where: Base-Base interactions energy: -2016.466 where: short stacking energy: -812.919 Base-Backbone interact. energy: -4.725 local terms energy: -905.772775 where: bonds (distance) C4'-P energy: -169.099 bonds (distance) P-C4' energy: -180.052 flat angles C4'-P-C4' energy: -200.868 flat angles P-C4'-P energy: -121.929 tors. eta vs tors. theta energy: -233.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2690.095105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.095105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.095105 (E_RNA) where: Base-Base interactions energy: -1839.154 where: short stacking energy: -755.477 Base-Backbone interact. energy: -1.350 local terms energy: -849.591363 where: bonds (distance) C4'-P energy: -147.734 bonds (distance) P-C4' energy: -170.671 flat angles C4'-P-C4' energy: -192.642 flat angles P-C4'-P energy: -128.335 tors. eta vs tors. theta energy: -210.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2551.954790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.954790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.954790 (E_RNA) where: Base-Base interactions energy: -1707.499 where: short stacking energy: -739.507 Base-Backbone interact. energy: -4.048 local terms energy: -840.407422 where: bonds (distance) C4'-P energy: -162.764 bonds (distance) P-C4' energy: -176.577 flat angles C4'-P-C4' energy: -187.846 flat angles P-C4'-P energy: -114.150 tors. eta vs tors. theta energy: -199.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2379.493328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.493328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.493328 (E_RNA) where: Base-Base interactions energy: -1567.738 where: short stacking energy: -673.659 Base-Backbone interact. energy: -2.693 local terms energy: -809.061868 where: bonds (distance) C4'-P energy: -150.667 bonds (distance) P-C4' energy: -164.128 flat angles C4'-P-C4' energy: -188.535 flat angles P-C4'-P energy: -113.121 tors. eta vs tors. theta energy: -192.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2275.971122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.971122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.971122 (E_RNA) where: Base-Base interactions energy: -1495.740 where: short stacking energy: -604.818 Base-Backbone interact. energy: -0.846 local terms energy: -779.385432 where: bonds (distance) C4'-P energy: -163.368 bonds (distance) P-C4' energy: -177.201 flat angles C4'-P-C4' energy: -167.459 flat angles P-C4'-P energy: -120.269 tors. eta vs tors. theta energy: -151.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1625.348175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.348175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.348175 (E_RNA) where: Base-Base interactions energy: -1022.746 where: short stacking energy: -432.121 Base-Backbone interact. energy: -0.506 local terms energy: -602.096264 where: bonds (distance) C4'-P energy: -140.226 bonds (distance) P-C4' energy: -148.890 flat angles C4'-P-C4' energy: -149.278 flat angles P-C4'-P energy: -95.819 tors. eta vs tors. theta energy: -67.884 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: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1236.526786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.526786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.526786 (E_RNA) where: Base-Base interactions energy: -704.904 where: short stacking energy: -372.060 Base-Backbone interact. energy: 2.810 local terms energy: -534.432591 where: bonds (distance) C4'-P energy: -129.196 bonds (distance) P-C4' energy: -163.846 flat angles C4'-P-C4' energy: -151.046 flat angles P-C4'-P energy: -62.342 tors. eta vs tors. theta energy: -28.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -896.696823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.696823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.696823 (E_RNA) where: Base-Base interactions energy: -391.172 where: short stacking energy: -199.287 Base-Backbone interact. energy: 0.274 local terms energy: -505.798813 where: bonds (distance) C4'-P energy: -141.685 bonds (distance) P-C4' energy: -172.787 flat angles C4'-P-C4' energy: -121.141 flat angles P-C4'-P energy: -83.540 tors. eta vs tors. theta energy: 13.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -640.198375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.198375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.198375 (E_RNA) where: Base-Base interactions energy: -201.519 where: short stacking energy: -153.498 Base-Backbone interact. energy: 0.663 local terms energy: -439.342181 where: bonds (distance) C4'-P energy: -150.748 bonds (distance) P-C4' energy: -150.158 flat angles C4'-P-C4' energy: -106.280 flat angles P-C4'-P energy: -70.399 tors. eta vs tors. theta energy: 38.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3066.980173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.980173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.980173 (E_RNA) where: Base-Base interactions energy: -2089.875 where: short stacking energy: -897.098 Base-Backbone interact. energy: -2.935 local terms energy: -974.169455 where: bonds (distance) C4'-P energy: -179.287 bonds (distance) P-C4' energy: -192.432 flat angles C4'-P-C4' energy: -210.393 flat angles P-C4'-P energy: -133.660 tors. eta vs tors. theta energy: -258.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2867.105480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.105480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.105480 (E_RNA) where: Base-Base interactions energy: -1959.012 where: short stacking energy: -814.375 Base-Backbone interact. energy: -4.282 local terms energy: -903.811331 where: bonds (distance) C4'-P energy: -181.073 bonds (distance) P-C4' energy: -176.003 flat angles C4'-P-C4' energy: -177.753 flat angles P-C4'-P energy: -141.109 tors. eta vs tors. theta energy: -227.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2680.959401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.959401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.959401 (E_RNA) where: Base-Base interactions energy: -1765.650 where: short stacking energy: -777.895 Base-Backbone interact. energy: -4.218 local terms energy: -911.092142 where: bonds (distance) C4'-P energy: -145.099 bonds (distance) P-C4' energy: -195.018 flat angles C4'-P-C4' energy: -196.063 flat angles P-C4'-P energy: -124.446 tors. eta vs tors. theta energy: -250.466 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: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2533.145909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.145909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.145909 (E_RNA) where: Base-Base interactions energy: -1685.314 where: short stacking energy: -723.834 Base-Backbone interact. energy: 1.654 local terms energy: -849.485890 where: bonds (distance) C4'-P energy: -168.355 bonds (distance) P-C4' energy: -175.329 flat angles C4'-P-C4' energy: -183.995 flat angles P-C4'-P energy: -119.635 tors. eta vs tors. theta energy: -202.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2362.322690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.322690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.322690 (E_RNA) where: Base-Base interactions energy: -1531.715 where: short stacking energy: -673.384 Base-Backbone interact. energy: 0.883 local terms energy: -831.490327 where: bonds (distance) C4'-P energy: -175.716 bonds (distance) P-C4' energy: -157.431 flat angles C4'-P-C4' energy: -178.409 flat angles P-C4'-P energy: -122.401 tors. eta vs tors. theta energy: -197.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2282.685110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.685110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.685110 (E_RNA) where: Base-Base interactions energy: -1530.834 where: short stacking energy: -624.144 Base-Backbone interact. energy: 4.402 local terms energy: -756.252559 where: bonds (distance) C4'-P energy: -146.895 bonds (distance) P-C4' energy: -147.548 flat angles C4'-P-C4' energy: -176.067 flat angles P-C4'-P energy: -107.620 tors. eta vs tors. theta energy: -178.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1644.897138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.897138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.897138 (E_RNA) where: Base-Base interactions energy: -1017.765 where: short stacking energy: -496.750 Base-Backbone interact. energy: 3.215 local terms energy: -630.347170 where: bonds (distance) C4'-P energy: -149.934 bonds (distance) P-C4' energy: -147.276 flat angles C4'-P-C4' energy: -154.784 flat angles P-C4'-P energy: -83.649 tors. eta vs tors. theta energy: -94.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1235.735539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.735539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.735539 (E_RNA) where: Base-Base interactions energy: -670.162 where: short stacking energy: -340.706 Base-Backbone interact. energy: 0.702 local terms energy: -566.275785 where: bonds (distance) C4'-P energy: -149.249 bonds (distance) P-C4' energy: -159.839 flat angles C4'-P-C4' energy: -146.824 flat angles P-C4'-P energy: -96.957 tors. eta vs tors. theta energy: -13.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -887.649371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.649371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.649371 (E_RNA) where: Base-Base interactions energy: -381.590 where: short stacking energy: -247.907 Base-Backbone interact. energy: 1.084 local terms energy: -507.142512 where: bonds (distance) C4'-P energy: -137.437 bonds (distance) P-C4' energy: -157.860 flat angles C4'-P-C4' energy: -123.527 flat angles P-C4'-P energy: -79.645 tors. eta vs tors. theta energy: -8.674 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: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -651.731795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.731795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.731795 (E_RNA) where: Base-Base interactions energy: -242.097 where: short stacking energy: -147.803 Base-Backbone interact. energy: -1.987 local terms energy: -407.646996 where: bonds (distance) C4'-P energy: -141.720 bonds (distance) P-C4' energy: -153.648 flat angles C4'-P-C4' energy: -107.762 flat angles P-C4'-P energy: -79.899 tors. eta vs tors. theta energy: 75.381 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: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3030.623171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.623171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.623171 (E_RNA) where: Base-Base interactions energy: -2067.827 where: short stacking energy: -836.989 Base-Backbone interact. energy: -1.832 local terms energy: -960.964334 where: bonds (distance) C4'-P energy: -191.780 bonds (distance) P-C4' energy: -183.446 flat angles C4'-P-C4' energy: -206.119 flat angles P-C4'-P energy: -121.832 tors. eta vs tors. theta energy: -257.786 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: 2, replica: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2873.788366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.788366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.788366 (E_RNA) where: Base-Base interactions energy: -1941.633 where: short stacking energy: -792.927 Base-Backbone interact. energy: -3.899 local terms energy: -928.256241 where: bonds (distance) C4'-P energy: -154.957 bonds (distance) P-C4' energy: -189.862 flat angles C4'-P-C4' energy: -203.172 flat angles P-C4'-P energy: -142.870 tors. eta vs tors. theta energy: -237.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2698.130541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.130541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.130541 (E_RNA) where: Base-Base interactions energy: -1797.940 where: short stacking energy: -802.305 Base-Backbone interact. energy: -3.172 local terms energy: -897.019288 where: bonds (distance) C4'-P energy: -159.346 bonds (distance) P-C4' energy: -167.297 flat angles C4'-P-C4' energy: -181.640 flat angles P-C4'-P energy: -137.181 tors. eta vs tors. theta energy: -251.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2531.168610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.168610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.168610 (E_RNA) where: Base-Base interactions energy: -1673.719 where: short stacking energy: -706.271 Base-Backbone interact. energy: -3.356 local terms energy: -854.093544 where: bonds (distance) C4'-P energy: -163.821 bonds (distance) P-C4' energy: -178.525 flat angles C4'-P-C4' energy: -197.809 flat angles P-C4'-P energy: -101.345 tors. eta vs tors. theta energy: -212.594 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: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2368.828421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.828421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.828421 (E_RNA) where: Base-Base interactions energy: -1591.058 where: short stacking energy: -680.817 Base-Backbone interact. energy: -3.801 local terms energy: -773.969759 where: bonds (distance) C4'-P energy: -161.221 bonds (distance) P-C4' energy: -162.145 flat angles C4'-P-C4' energy: -179.175 flat angles P-C4'-P energy: -94.714 tors. eta vs tors. theta energy: -176.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2307.095700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.095700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.095700 (E_RNA) where: Base-Base interactions energy: -1522.288 where: short stacking energy: -625.368 Base-Backbone interact. energy: -4.166 local terms energy: -780.641615 where: bonds (distance) C4'-P energy: -156.353 bonds (distance) P-C4' energy: -174.081 flat angles C4'-P-C4' energy: -171.059 flat angles P-C4'-P energy: -112.039 tors. eta vs tors. theta energy: -167.111 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: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1631.181123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.181123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.181123 (E_RNA) where: Base-Base interactions energy: -1004.075 where: short stacking energy: -446.674 Base-Backbone interact. energy: -0.780 local terms energy: -626.326276 where: bonds (distance) C4'-P energy: -125.834 bonds (distance) P-C4' energy: -174.239 flat angles C4'-P-C4' energy: -153.884 flat angles P-C4'-P energy: -86.646 tors. eta vs tors. theta energy: -85.723 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: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1185.920318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.920318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.920318 (E_RNA) where: Base-Base interactions energy: -650.708 where: short stacking energy: -295.696 Base-Backbone interact. energy: 10.788 local terms energy: -546.000485 where: bonds (distance) C4'-P energy: -147.632 bonds (distance) P-C4' energy: -160.956 flat angles C4'-P-C4' energy: -134.357 flat angles P-C4'-P energy: -96.562 tors. eta vs tors. theta energy: -6.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -874.747529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.747529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.747529 (E_RNA) where: Base-Base interactions energy: -408.847 where: short stacking energy: -236.192 Base-Backbone interact. energy: 1.699 local terms energy: -467.599593 where: bonds (distance) C4'-P energy: -125.147 bonds (distance) P-C4' energy: -155.514 flat angles C4'-P-C4' energy: -133.051 flat angles P-C4'-P energy: -56.814 tors. eta vs tors. theta energy: 2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -655.343354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.343354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.343354 (E_RNA) where: Base-Base interactions energy: -230.445 where: short stacking energy: -160.897 Base-Backbone interact. energy: -2.736 local terms energy: -422.162268 where: bonds (distance) C4'-P energy: -150.483 bonds (distance) P-C4' energy: -165.117 flat angles C4'-P-C4' energy: -93.882 flat angles P-C4'-P energy: -67.769 tors. eta vs tors. theta energy: 55.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3017.077073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.077073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.077073 (E_RNA) where: Base-Base interactions energy: -2058.442 where: short stacking energy: -843.147 Base-Backbone interact. energy: -2.582 local terms energy: -956.053158 where: bonds (distance) C4'-P energy: -175.397 bonds (distance) P-C4' energy: -175.428 flat angles C4'-P-C4' energy: -215.563 flat angles P-C4'-P energy: -132.528 tors. eta vs tors. theta energy: -257.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2864.118728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.118728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.118728 (E_RNA) where: Base-Base interactions energy: -1943.383 where: short stacking energy: -796.866 Base-Backbone interact. energy: -2.316 local terms energy: -918.420042 where: bonds (distance) C4'-P energy: -180.871 bonds (distance) P-C4' energy: -172.688 flat angles C4'-P-C4' energy: -189.612 flat angles P-C4'-P energy: -137.615 tors. eta vs tors. theta energy: -237.635 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: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2657.922955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.922955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.922955 (E_RNA) where: Base-Base interactions energy: -1776.415 where: short stacking energy: -744.412 Base-Backbone interact. energy: -2.914 local terms energy: -878.594682 where: bonds (distance) C4'-P energy: -173.694 bonds (distance) P-C4' energy: -169.798 flat angles C4'-P-C4' energy: -197.947 flat angles P-C4'-P energy: -113.991 tors. eta vs tors. theta energy: -223.165 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: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2571.443575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.443575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.443575 (E_RNA) where: Base-Base interactions energy: -1727.676 where: short stacking energy: -705.462 Base-Backbone interact. energy: -4.721 local terms energy: -839.047058 where: bonds (distance) C4'-P energy: -145.911 bonds (distance) P-C4' energy: -158.046 flat angles C4'-P-C4' energy: -183.981 flat angles P-C4'-P energy: -125.608 tors. eta vs tors. theta energy: -225.501 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: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2306.344449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.344449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.344449 (E_RNA) where: Base-Base interactions energy: -1551.537 where: short stacking energy: -657.881 Base-Backbone interact. energy: 0.340 local terms energy: -755.148136 where: bonds (distance) C4'-P energy: -153.540 bonds (distance) P-C4' energy: -153.628 flat angles C4'-P-C4' energy: -162.027 flat angles P-C4'-P energy: -113.747 tors. eta vs tors. theta energy: -172.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2280.911549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.911549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.911549 (E_RNA) where: Base-Base interactions energy: -1516.276 where: short stacking energy: -649.722 Base-Backbone interact. energy: -1.833 local terms energy: -762.802645 where: bonds (distance) C4'-P energy: -135.139 bonds (distance) P-C4' energy: -176.072 flat angles C4'-P-C4' energy: -185.650 flat angles P-C4'-P energy: -88.379 tors. eta vs tors. theta energy: -177.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1676.847858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.847858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.847858 (E_RNA) where: Base-Base interactions energy: -1014.007 where: short stacking energy: -469.553 Base-Backbone interact. energy: -4.645 local terms energy: -658.196205 where: bonds (distance) C4'-P energy: -147.064 bonds (distance) P-C4' energy: -162.454 flat angles C4'-P-C4' energy: -160.461 flat angles P-C4'-P energy: -90.049 tors. eta vs tors. theta energy: -98.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1221.504554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.504554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.504554 (E_RNA) where: Base-Base interactions energy: -675.145 where: short stacking energy: -328.533 Base-Backbone interact. energy: -3.658 local terms energy: -542.702035 where: bonds (distance) C4'-P energy: -119.605 bonds (distance) P-C4' energy: -145.375 flat angles C4'-P-C4' energy: -154.231 flat angles P-C4'-P energy: -96.788 tors. eta vs tors. theta energy: -26.703 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: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -853.884332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.884332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.884332 (E_RNA) where: Base-Base interactions energy: -373.176 where: short stacking energy: -206.900 Base-Backbone interact. energy: 2.612 local terms energy: -483.319878 where: bonds (distance) C4'-P energy: -147.592 bonds (distance) P-C4' energy: -160.569 flat angles C4'-P-C4' energy: -116.874 flat angles P-C4'-P energy: -76.403 tors. eta vs tors. theta energy: 18.119 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: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -669.065562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.065562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.065562 (E_RNA) where: Base-Base interactions energy: -192.412 where: short stacking energy: -154.099 Base-Backbone interact. energy: 5.330 local terms energy: -481.982825 where: bonds (distance) C4'-P energy: -158.329 bonds (distance) P-C4' energy: -160.761 flat angles C4'-P-C4' energy: -141.489 flat angles P-C4'-P energy: -71.775 tors. eta vs tors. theta energy: 50.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3024.229899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.229899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.229899 (E_RNA) where: Base-Base interactions energy: -2052.373 where: short stacking energy: -847.435 Base-Backbone interact. energy: -1.414 local terms energy: -970.443491 where: bonds (distance) C4'-P energy: -181.064 bonds (distance) P-C4' energy: -175.210 flat angles C4'-P-C4' energy: -222.305 flat angles P-C4'-P energy: -152.129 tors. eta vs tors. theta energy: -239.735 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: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2860.890637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.890637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.890637 (E_RNA) where: Base-Base interactions energy: -1946.144 where: short stacking energy: -783.899 Base-Backbone interact. energy: -3.061 local terms energy: -911.685791 where: bonds (distance) C4'-P energy: -179.156 bonds (distance) P-C4' energy: -176.616 flat angles C4'-P-C4' energy: -192.955 flat angles P-C4'-P energy: -139.644 tors. eta vs tors. theta energy: -223.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2704.597357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.597357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.597357 (E_RNA) where: Base-Base interactions energy: -1788.247 where: short stacking energy: -781.953 Base-Backbone interact. energy: -5.578 local terms energy: -910.772303 where: bonds (distance) C4'-P energy: -183.119 bonds (distance) P-C4' energy: -179.830 flat angles C4'-P-C4' energy: -198.107 flat angles P-C4'-P energy: -121.371 tors. eta vs tors. theta energy: -228.345 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: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2599.636234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.636234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.636234 (E_RNA) where: Base-Base interactions energy: -1736.511 where: short stacking energy: -727.807 Base-Backbone interact. energy: -3.760 local terms energy: -859.365653 where: bonds (distance) C4'-P energy: -169.873 bonds (distance) P-C4' energy: -168.402 flat angles C4'-P-C4' energy: -187.294 flat angles P-C4'-P energy: -120.373 tors. eta vs tors. theta energy: -213.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2357.358834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.358834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.358834 (E_RNA) where: Base-Base interactions energy: -1567.814 where: short stacking energy: -684.312 Base-Backbone interact. energy: -0.692 local terms energy: -788.853071 where: bonds (distance) C4'-P energy: -163.809 bonds (distance) P-C4' energy: -164.343 flat angles C4'-P-C4' energy: -165.098 flat angles P-C4'-P energy: -117.849 tors. eta vs tors. theta energy: -177.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2343.886101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.886101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.886101 (E_RNA) where: Base-Base interactions energy: -1587.709 where: short stacking energy: -657.091 Base-Backbone interact. energy: 1.470 local terms energy: -757.646791 where: bonds (distance) C4'-P energy: -151.202 bonds (distance) P-C4' energy: -135.125 flat angles C4'-P-C4' energy: -181.501 flat angles P-C4'-P energy: -111.619 tors. eta vs tors. theta energy: -178.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1577.122547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.122547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.122547 (E_RNA) where: Base-Base interactions energy: -974.568 where: short stacking energy: -468.966 Base-Backbone interact. energy: -1.770 local terms energy: -600.784903 where: bonds (distance) C4'-P energy: -147.302 bonds (distance) P-C4' energy: -154.511 flat angles C4'-P-C4' energy: -139.610 flat angles P-C4'-P energy: -72.500 tors. eta vs tors. theta energy: -86.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1165.476035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.476035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.476035 (E_RNA) where: Base-Base interactions energy: -635.379 where: short stacking energy: -344.571 Base-Backbone interact. energy: 2.319 local terms energy: -532.416224 where: bonds (distance) C4'-P energy: -127.497 bonds (distance) P-C4' energy: -151.543 flat angles C4'-P-C4' energy: -138.393 flat angles P-C4'-P energy: -89.439 tors. eta vs tors. theta energy: -25.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -841.740141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.740141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.740141 (E_RNA) where: Base-Base interactions energy: -350.831 where: short stacking energy: -226.965 Base-Backbone interact. energy: 1.998 local terms energy: -492.908107 where: bonds (distance) C4'-P energy: -155.839 bonds (distance) P-C4' energy: -133.687 flat angles C4'-P-C4' energy: -148.219 flat angles P-C4'-P energy: -78.654 tors. eta vs tors. theta energy: 23.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -690.258197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.258197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.258197 (E_RNA) where: Base-Base interactions energy: -209.484 where: short stacking energy: -163.778 Base-Backbone interact. energy: -0.094 local terms energy: -480.680688 where: bonds (distance) C4'-P energy: -145.770 bonds (distance) P-C4' energy: -170.745 flat angles C4'-P-C4' energy: -125.469 flat angles P-C4'-P energy: -74.070 tors. eta vs tors. theta energy: 35.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3052.741835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.741835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.741835 (E_RNA) where: Base-Base interactions energy: -2087.485 where: short stacking energy: -882.054 Base-Backbone interact. energy: 0.095 local terms energy: -965.351403 where: bonds (distance) C4'-P energy: -179.555 bonds (distance) P-C4' energy: -177.776 flat angles C4'-P-C4' energy: -214.265 flat angles P-C4'-P energy: -133.114 tors. eta vs tors. theta energy: -260.642 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: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2850.961010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.961010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.961010 (E_RNA) where: Base-Base interactions energy: -1953.755 where: short stacking energy: -756.050 Base-Backbone interact. energy: -2.966 local terms energy: -894.239963 where: bonds (distance) C4'-P energy: -161.346 bonds (distance) P-C4' energy: -183.047 flat angles C4'-P-C4' energy: -199.445 flat angles P-C4'-P energy: -127.941 tors. eta vs tors. theta energy: -222.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2713.545774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.545774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.545774 (E_RNA) where: Base-Base interactions energy: -1836.027 where: short stacking energy: -776.488 Base-Backbone interact. energy: -2.315 local terms energy: -875.204528 where: bonds (distance) C4'-P energy: -180.422 bonds (distance) P-C4' energy: -155.913 flat angles C4'-P-C4' energy: -186.196 flat angles P-C4'-P energy: -132.282 tors. eta vs tors. theta energy: -220.392 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: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2518.194789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.194789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.194789 (E_RNA) where: Base-Base interactions energy: -1692.474 where: short stacking energy: -710.309 Base-Backbone interact. energy: -3.639 local terms energy: -822.082137 where: bonds (distance) C4'-P energy: -157.748 bonds (distance) P-C4' energy: -170.435 flat angles C4'-P-C4' energy: -178.916 flat angles P-C4'-P energy: -115.864 tors. eta vs tors. theta energy: -199.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2373.555820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.555820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.555820 (E_RNA) where: Base-Base interactions energy: -1617.178 where: short stacking energy: -680.143 Base-Backbone interact. energy: -0.720 local terms energy: -755.657911 where: bonds (distance) C4'-P energy: -154.770 bonds (distance) P-C4' energy: -159.339 flat angles C4'-P-C4' energy: -172.101 flat angles P-C4'-P energy: -106.655 tors. eta vs tors. theta energy: -162.793 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: 10 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2373.872804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.872804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.872804 (E_RNA) where: Base-Base interactions energy: -1560.922 where: short stacking energy: -671.212 Base-Backbone interact. energy: -1.049 local terms energy: -811.901966 where: bonds (distance) C4'-P energy: -155.485 bonds (distance) P-C4' energy: -174.196 flat angles C4'-P-C4' energy: -188.374 flat angles P-C4'-P energy: -118.475 tors. eta vs tors. theta energy: -175.371 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: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1650.799256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.799256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.799256 (E_RNA) where: Base-Base interactions energy: -1031.633 where: short stacking energy: -460.095 Base-Backbone interact. energy: 2.285 local terms energy: -621.451783 where: bonds (distance) C4'-P energy: -135.845 bonds (distance) P-C4' energy: -164.458 flat angles C4'-P-C4' energy: -152.460 flat angles P-C4'-P energy: -91.175 tors. eta vs tors. theta energy: -77.515 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: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1150.425501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.425501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.425501 (E_RNA) where: Base-Base interactions energy: -602.674 where: short stacking energy: -305.578 Base-Backbone interact. energy: -1.678 local terms energy: -546.073373 where: bonds (distance) C4'-P energy: -137.647 bonds (distance) P-C4' energy: -155.519 flat angles C4'-P-C4' energy: -134.691 flat angles P-C4'-P energy: -104.012 tors. eta vs tors. theta energy: -14.204 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: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -867.611360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.611360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.611360 (E_RNA) where: Base-Base interactions energy: -372.999 where: short stacking energy: -220.755 Base-Backbone interact. energy: 0.279 local terms energy: -494.890825 where: bonds (distance) C4'-P energy: -142.916 bonds (distance) P-C4' energy: -149.746 flat angles C4'-P-C4' energy: -151.292 flat angles P-C4'-P energy: -76.973 tors. eta vs tors. theta energy: 26.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -650.591796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.591796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.591796 (E_RNA) where: Base-Base interactions energy: -191.115 where: short stacking energy: -156.328 Base-Backbone interact. energy: -0.828 local terms energy: -458.648661 where: bonds (distance) C4'-P energy: -145.610 bonds (distance) P-C4' energy: -166.203 flat angles C4'-P-C4' energy: -114.940 flat angles P-C4'-P energy: -62.150 tors. eta vs tors. theta energy: 30.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3104.545618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.545618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.545618 (E_RNA) where: Base-Base interactions energy: -2130.952 where: short stacking energy: -868.232 Base-Backbone interact. energy: -2.845 local terms energy: -970.749002 where: bonds (distance) C4'-P energy: -185.477 bonds (distance) P-C4' energy: -182.945 flat angles C4'-P-C4' energy: -204.533 flat angles P-C4'-P energy: -131.411 tors. eta vs tors. theta energy: -266.383 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: 6 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2837.758473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.758473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.758473 (E_RNA) where: Base-Base interactions energy: -1959.238 where: short stacking energy: -759.189 Base-Backbone interact. energy: -1.209 local terms energy: -877.311396 where: bonds (distance) C4'-P energy: -173.890 bonds (distance) P-C4' energy: -183.095 flat angles C4'-P-C4' energy: -184.887 flat angles P-C4'-P energy: -122.425 tors. eta vs tors. theta energy: -213.015 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: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2736.327091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.327091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.327091 (E_RNA) where: Base-Base interactions energy: -1828.150 where: short stacking energy: -773.905 Base-Backbone interact. energy: -0.304 local terms energy: -907.873632 where: bonds (distance) C4'-P energy: -176.265 bonds (distance) P-C4' energy: -166.295 flat angles C4'-P-C4' energy: -195.623 flat angles P-C4'-P energy: -134.805 tors. eta vs tors. theta energy: -234.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2565.861145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.861145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.861145 (E_RNA) where: Base-Base interactions energy: -1735.838 where: short stacking energy: -738.078 Base-Backbone interact. energy: -7.965 local terms energy: -822.057635 where: bonds (distance) C4'-P energy: -156.019 bonds (distance) P-C4' energy: -175.392 flat angles C4'-P-C4' energy: -197.758 flat angles P-C4'-P energy: -98.225 tors. eta vs tors. theta energy: -194.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2384.383895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.383895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.383895 (E_RNA) where: Base-Base interactions energy: -1588.890 where: short stacking energy: -661.915 Base-Backbone interact. energy: -2.807 local terms energy: -792.686566 where: bonds (distance) C4'-P energy: -155.612 bonds (distance) P-C4' energy: -156.203 flat angles C4'-P-C4' energy: -172.089 flat angles P-C4'-P energy: -115.654 tors. eta vs tors. theta energy: -193.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2339.952082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.952082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.952082 (E_RNA) where: Base-Base interactions energy: -1561.382 where: short stacking energy: -643.031 Base-Backbone interact. energy: -1.458 local terms energy: -777.112241 where: bonds (distance) C4'-P energy: -150.581 bonds (distance) P-C4' energy: -163.326 flat angles C4'-P-C4' energy: -177.223 flat angles P-C4'-P energy: -110.733 tors. eta vs tors. theta energy: -175.250 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: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1645.479006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.479006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.479006 (E_RNA) where: Base-Base interactions energy: -1003.973 where: short stacking energy: -454.868 Base-Backbone interact. energy: -3.117 local terms energy: -638.389040 where: bonds (distance) C4'-P energy: -157.689 bonds (distance) P-C4' energy: -157.409 flat angles C4'-P-C4' energy: -149.876 flat angles P-C4'-P energy: -102.753 tors. eta vs tors. theta energy: -70.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1127.782633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.782633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.782633 (E_RNA) where: Base-Base interactions energy: -574.737 where: short stacking energy: -298.133 Base-Backbone interact. energy: 8.627 local terms energy: -561.672733 where: bonds (distance) C4'-P energy: -166.601 bonds (distance) P-C4' energy: -148.965 flat angles C4'-P-C4' energy: -139.797 flat angles P-C4'-P energy: -88.454 tors. eta vs tors. theta energy: -17.856 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: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -872.862917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.862917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.862917 (E_RNA) where: Base-Base interactions energy: -382.099 where: short stacking energy: -231.892 Base-Backbone interact. energy: 4.643 local terms energy: -495.407359 where: bonds (distance) C4'-P energy: -145.974 bonds (distance) P-C4' energy: -163.289 flat angles C4'-P-C4' energy: -124.939 flat angles P-C4'-P energy: -74.172 tors. eta vs tors. theta energy: 12.967 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: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -665.941655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.941655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.941655 (E_RNA) where: Base-Base interactions energy: -204.501 where: short stacking energy: -164.094 Base-Backbone interact. energy: 0.380 local terms energy: -461.820907 where: bonds (distance) C4'-P energy: -135.528 bonds (distance) P-C4' energy: -159.821 flat angles C4'-P-C4' energy: -138.134 flat angles P-C4'-P energy: -57.250 tors. eta vs tors. theta energy: 28.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3114.244069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.244069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.244069 (E_RNA) where: Base-Base interactions energy: -2180.032 where: short stacking energy: -891.822 Base-Backbone interact. energy: -2.942 local terms energy: -931.269465 where: bonds (distance) C4'-P energy: -153.674 bonds (distance) P-C4' energy: -169.942 flat angles C4'-P-C4' energy: -198.527 flat angles P-C4'-P energy: -141.659 tors. eta vs tors. theta energy: -267.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2855.525047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.525047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.525047 (E_RNA) where: Base-Base interactions energy: -1917.985 where: short stacking energy: -728.413 Base-Backbone interact. energy: -6.977 local terms energy: -930.563675 where: bonds (distance) C4'-P energy: -191.343 bonds (distance) P-C4' energy: -192.147 flat angles C4'-P-C4' energy: -197.974 flat angles P-C4'-P energy: -139.771 tors. eta vs tors. theta energy: -209.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2684.725314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.725314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.725314 (E_RNA) where: Base-Base interactions energy: -1796.624 where: short stacking energy: -768.142 Base-Backbone interact. energy: -2.881 local terms energy: -885.220091 where: bonds (distance) C4'-P energy: -169.245 bonds (distance) P-C4' energy: -184.736 flat angles C4'-P-C4' energy: -188.805 flat angles P-C4'-P energy: -125.031 tors. eta vs tors. theta energy: -217.403 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: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2524.963073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.963073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.963073 (E_RNA) where: Base-Base interactions energy: -1690.379 where: short stacking energy: -710.856 Base-Backbone interact. energy: -3.565 local terms energy: -831.019216 where: bonds (distance) C4'-P energy: -145.810 bonds (distance) P-C4' energy: -167.485 flat angles C4'-P-C4' energy: -191.877 flat angles P-C4'-P energy: -126.736 tors. eta vs tors. theta energy: -199.111 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: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2469.821704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.821704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.821704 (E_RNA) where: Base-Base interactions energy: -1657.285 where: short stacking energy: -711.894 Base-Backbone interact. energy: -5.908 local terms energy: -806.628342 where: bonds (distance) C4'-P energy: -166.364 bonds (distance) P-C4' energy: -150.913 flat angles C4'-P-C4' energy: -172.471 flat angles P-C4'-P energy: -117.798 tors. eta vs tors. theta energy: -199.083 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: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2304.233782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.233782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.233782 (E_RNA) where: Base-Base interactions energy: -1578.993 where: short stacking energy: -645.580 Base-Backbone interact. energy: -0.603 local terms energy: -724.637039 where: bonds (distance) C4'-P energy: -153.185 bonds (distance) P-C4' energy: -142.383 flat angles C4'-P-C4' energy: -152.473 flat angles P-C4'-P energy: -110.412 tors. eta vs tors. theta energy: -166.183 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: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1633.724695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.724695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.724695 (E_RNA) where: Base-Base interactions energy: -983.938 where: short stacking energy: -473.411 Base-Backbone interact. energy: -0.671 local terms energy: -649.115033 where: bonds (distance) C4'-P energy: -153.222 bonds (distance) P-C4' energy: -149.796 flat angles C4'-P-C4' energy: -170.053 flat angles P-C4'-P energy: -94.295 tors. eta vs tors. theta energy: -81.749 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: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1119.319875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.319875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.319875 (E_RNA) where: Base-Base interactions energy: -570.582 where: short stacking energy: -314.702 Base-Backbone interact. energy: 1.671 local terms energy: -550.408894 where: bonds (distance) C4'-P energy: -169.916 bonds (distance) P-C4' energy: -155.523 flat angles C4'-P-C4' energy: -150.096 flat angles P-C4'-P energy: -59.428 tors. eta vs tors. theta energy: -15.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -828.294457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.294457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.294457 (E_RNA) where: Base-Base interactions energy: -347.012 where: short stacking energy: -204.637 Base-Backbone interact. energy: -1.408 local terms energy: -479.874327 where: bonds (distance) C4'-P energy: -140.138 bonds (distance) P-C4' energy: -151.222 flat angles C4'-P-C4' energy: -126.355 flat angles P-C4'-P energy: -76.145 tors. eta vs tors. theta energy: 13.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -640.831942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.831942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.831942 (E_RNA) where: Base-Base interactions energy: -214.240 where: short stacking energy: -168.734 Base-Backbone interact. energy: -1.753 local terms energy: -424.838598 where: bonds (distance) C4'-P energy: -129.214 bonds (distance) P-C4' energy: -156.540 flat angles C4'-P-C4' energy: -121.794 flat angles P-C4'-P energy: -46.102 tors. eta vs tors. theta energy: 28.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3090.098269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.098269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.098269 (E_RNA) where: Base-Base interactions energy: -2124.151 where: short stacking energy: -876.275 Base-Backbone interact. energy: -3.477 local terms energy: -962.469851 where: bonds (distance) C4'-P energy: -176.927 bonds (distance) P-C4' energy: -177.307 flat angles C4'-P-C4' energy: -211.969 flat angles P-C4'-P energy: -128.791 tors. eta vs tors. theta energy: -267.475 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: 6 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2909.043481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.043481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.043481 (E_RNA) where: Base-Base interactions energy: -1989.232 where: short stacking energy: -799.027 Base-Backbone interact. energy: -3.428 local terms energy: -916.383521 where: bonds (distance) C4'-P energy: -185.275 bonds (distance) P-C4' energy: -173.140 flat angles C4'-P-C4' energy: -188.937 flat angles P-C4'-P energy: -125.460 tors. eta vs tors. theta energy: -243.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2649.722298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.722298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.722298 (E_RNA) where: Base-Base interactions energy: -1782.361 where: short stacking energy: -785.367 Base-Backbone interact. energy: 0.529 local terms energy: -867.890145 where: bonds (distance) C4'-P energy: -164.963 bonds (distance) P-C4' energy: -175.860 flat angles C4'-P-C4' energy: -186.761 flat angles P-C4'-P energy: -111.250 tors. eta vs tors. theta energy: -229.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2492.787006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.787006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.787006 (E_RNA) where: Base-Base interactions energy: -1675.974 where: short stacking energy: -706.478 Base-Backbone interact. energy: 4.757 local terms energy: -821.569226 where: bonds (distance) C4'-P energy: -153.225 bonds (distance) P-C4' energy: -185.987 flat angles C4'-P-C4' energy: -183.027 flat angles P-C4'-P energy: -114.347 tors. eta vs tors. theta energy: -184.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2506.885549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.885549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.885549 (E_RNA) where: Base-Base interactions energy: -1681.126 where: short stacking energy: -699.150 Base-Backbone interact. energy: -0.944 local terms energy: -824.815849 where: bonds (distance) C4'-P energy: -159.451 bonds (distance) P-C4' energy: -177.559 flat angles C4'-P-C4' energy: -178.489 flat angles P-C4'-P energy: -113.248 tors. eta vs tors. theta energy: -196.068 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: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2240.824567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.824567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.824567 (E_RNA) where: Base-Base interactions energy: -1492.479 where: short stacking energy: -638.607 Base-Backbone interact. energy: -5.587 local terms energy: -742.758115 where: bonds (distance) C4'-P energy: -162.630 bonds (distance) P-C4' energy: -132.587 flat angles C4'-P-C4' energy: -170.512 flat angles P-C4'-P energy: -117.302 tors. eta vs tors. theta energy: -159.728 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: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1707.670736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.670736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.670736 (E_RNA) where: Base-Base interactions energy: -1043.412 where: short stacking energy: -459.668 Base-Backbone interact. energy: -5.672 local terms energy: -658.586684 where: bonds (distance) C4'-P energy: -143.754 bonds (distance) P-C4' energy: -169.057 flat angles C4'-P-C4' energy: -155.276 flat angles P-C4'-P energy: -80.749 tors. eta vs tors. theta energy: -109.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1104.156413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.156413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.156413 (E_RNA) where: Base-Base interactions energy: -582.488 where: short stacking energy: -305.575 Base-Backbone interact. energy: -1.107 local terms energy: -520.561809 where: bonds (distance) C4'-P energy: -140.615 bonds (distance) P-C4' energy: -145.121 flat angles C4'-P-C4' energy: -129.222 flat angles P-C4'-P energy: -96.481 tors. eta vs tors. theta energy: -9.124 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: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -919.486005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.486005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.486005 (E_RNA) where: Base-Base interactions energy: -420.674 where: short stacking energy: -229.890 Base-Backbone interact. energy: 2.148 local terms energy: -500.960389 where: bonds (distance) C4'-P energy: -146.683 bonds (distance) P-C4' energy: -150.243 flat angles C4'-P-C4' energy: -131.139 flat angles P-C4'-P energy: -91.389 tors. eta vs tors. theta energy: 18.493 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: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -665.465840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.465840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.465840 (E_RNA) where: Base-Base interactions energy: -225.352 where: short stacking energy: -154.172 Base-Backbone interact. energy: 2.498 local terms energy: -442.611498 where: bonds (distance) C4'-P energy: -152.131 bonds (distance) P-C4' energy: -139.700 flat angles C4'-P-C4' energy: -120.772 flat angles P-C4'-P energy: -83.397 tors. eta vs tors. theta energy: 53.389 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: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3045.842149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.842149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.842149 (E_RNA) where: Base-Base interactions energy: -2088.966 where: short stacking energy: -863.531 Base-Backbone interact. energy: -3.771 local terms energy: -953.105085 where: bonds (distance) C4'-P energy: -181.470 bonds (distance) P-C4' energy: -191.782 flat angles C4'-P-C4' energy: -196.805 flat angles P-C4'-P energy: -137.102 tors. eta vs tors. theta energy: -245.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2915.294885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.294885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.294885 (E_RNA) where: Base-Base interactions energy: -1959.403 where: short stacking energy: -772.528 Base-Backbone interact. energy: 1.471 local terms energy: -957.362795 where: bonds (distance) C4'-P energy: -190.738 bonds (distance) P-C4' energy: -191.409 flat angles C4'-P-C4' energy: -197.983 flat angles P-C4'-P energy: -146.165 tors. eta vs tors. theta energy: -231.067 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: 3, replica: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2646.549369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.549369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.549369 (E_RNA) where: Base-Base interactions energy: -1751.649 where: short stacking energy: -760.606 Base-Backbone interact. energy: 0.386 local terms energy: -895.286611 where: bonds (distance) C4'-P energy: -173.531 bonds (distance) P-C4' energy: -181.992 flat angles C4'-P-C4' energy: -198.383 flat angles P-C4'-P energy: -122.030 tors. eta vs tors. theta energy: -219.352 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: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2542.911092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.911092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.911092 (E_RNA) where: Base-Base interactions energy: -1723.832 where: short stacking energy: -751.131 Base-Backbone interact. energy: -0.604 local terms energy: -818.475325 where: bonds (distance) C4'-P energy: -160.713 bonds (distance) P-C4' energy: -152.918 flat angles C4'-P-C4' energy: -194.017 flat angles P-C4'-P energy: -113.058 tors. eta vs tors. theta energy: -197.769 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: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2422.369236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.369236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.369236 (E_RNA) where: Base-Base interactions energy: -1624.853 where: short stacking energy: -704.220 Base-Backbone interact. energy: -0.116 local terms energy: -797.400163 where: bonds (distance) C4'-P energy: -172.297 bonds (distance) P-C4' energy: -158.361 flat angles C4'-P-C4' energy: -164.709 flat angles P-C4'-P energy: -115.819 tors. eta vs tors. theta energy: -186.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2227.768566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.768566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.768566 (E_RNA) where: Base-Base interactions energy: -1499.856 where: short stacking energy: -620.434 Base-Backbone interact. energy: -0.796 local terms energy: -727.116942 where: bonds (distance) C4'-P energy: -132.545 bonds (distance) P-C4' energy: -157.008 flat angles C4'-P-C4' energy: -162.367 flat angles P-C4'-P energy: -118.836 tors. eta vs tors. theta energy: -156.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1747.261322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.261322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.261322 (E_RNA) where: Base-Base interactions energy: -1104.967 where: short stacking energy: -500.939 Base-Backbone interact. energy: -3.452 local terms energy: -638.842637 where: bonds (distance) C4'-P energy: -147.215 bonds (distance) P-C4' energy: -161.007 flat angles C4'-P-C4' energy: -139.891 flat angles P-C4'-P energy: -96.160 tors. eta vs tors. theta energy: -94.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1118.535083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.535083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.535083 (E_RNA) where: Base-Base interactions energy: -574.089 where: short stacking energy: -300.182 Base-Backbone interact. energy: -3.824 local terms energy: -540.621460 where: bonds (distance) C4'-P energy: -153.390 bonds (distance) P-C4' energy: -159.480 flat angles C4'-P-C4' energy: -142.668 flat angles P-C4'-P energy: -76.268 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: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -898.796151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.796151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.796151 (E_RNA) where: Base-Base interactions energy: -384.321 where: short stacking energy: -213.618 Base-Backbone interact. energy: 4.892 local terms energy: -519.366631 where: bonds (distance) C4'-P energy: -142.620 bonds (distance) P-C4' energy: -172.988 flat angles C4'-P-C4' energy: -146.487 flat angles P-C4'-P energy: -60.350 tors. eta vs tors. theta energy: 3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -626.083421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.083421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.083421 (E_RNA) where: Base-Base interactions energy: -218.072 where: short stacking energy: -144.006 Base-Backbone interact. energy: 9.726 local terms energy: -417.737838 where: bonds (distance) C4'-P energy: -128.494 bonds (distance) P-C4' energy: -146.889 flat angles C4'-P-C4' energy: -122.669 flat angles P-C4'-P energy: -78.848 tors. eta vs tors. theta energy: 59.162 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: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3136.587641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.587641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.587641 (E_RNA) where: Base-Base interactions energy: -2160.303 where: short stacking energy: -915.093 Base-Backbone interact. energy: -1.704 local terms energy: -974.580260 where: bonds (distance) C4'-P energy: -154.574 bonds (distance) P-C4' energy: -191.715 flat angles C4'-P-C4' energy: -215.512 flat angles P-C4'-P energy: -139.169 tors. eta vs tors. theta energy: -273.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2876.855174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.855174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.855174 (E_RNA) where: Base-Base interactions energy: -1970.320 where: short stacking energy: -794.527 Base-Backbone interact. energy: 1.273 local terms energy: -907.808776 where: bonds (distance) C4'-P energy: -167.321 bonds (distance) P-C4' energy: -183.020 flat angles C4'-P-C4' energy: -179.863 flat angles P-C4'-P energy: -141.930 tors. eta vs tors. theta energy: -235.675 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: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2616.340784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.340784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.340784 (E_RNA) where: Base-Base interactions energy: -1747.367 where: short stacking energy: -781.374 Base-Backbone interact. energy: -3.652 local terms energy: -865.321827 where: bonds (distance) C4'-P energy: -155.388 bonds (distance) P-C4' energy: -176.799 flat angles C4'-P-C4' energy: -182.623 flat angles P-C4'-P energy: -123.170 tors. eta vs tors. theta energy: -227.341 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: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2614.286068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.286068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.286068 (E_RNA) where: Base-Base interactions energy: -1744.205 where: short stacking energy: -751.218 Base-Backbone interact. energy: -0.109 local terms energy: -869.972581 where: bonds (distance) C4'-P energy: -161.448 bonds (distance) P-C4' energy: -160.246 flat angles C4'-P-C4' energy: -196.080 flat angles P-C4'-P energy: -140.596 tors. eta vs tors. theta energy: -211.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2447.452741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.452741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.452741 (E_RNA) where: Base-Base interactions energy: -1614.059 where: short stacking energy: -680.644 Base-Backbone interact. energy: 2.770 local terms energy: -836.164222 where: bonds (distance) C4'-P energy: -162.641 bonds (distance) P-C4' energy: -180.807 flat angles C4'-P-C4' energy: -196.873 flat angles P-C4'-P energy: -106.545 tors. eta vs tors. theta energy: -189.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2251.870171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.870171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.870171 (E_RNA) where: Base-Base interactions energy: -1505.423 where: short stacking energy: -639.644 Base-Backbone interact. energy: -1.049 local terms energy: -745.397639 where: bonds (distance) C4'-P energy: -144.793 bonds (distance) P-C4' energy: -156.496 flat angles C4'-P-C4' energy: -168.637 flat angles P-C4'-P energy: -103.979 tors. eta vs tors. theta energy: -171.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1795.813108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.813108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.813108 (E_RNA) where: Base-Base interactions energy: -1130.695 where: short stacking energy: -507.765 Base-Backbone interact. energy: 7.149 local terms energy: -672.267086 where: bonds (distance) C4'-P energy: -157.140 bonds (distance) P-C4' energy: -160.329 flat angles C4'-P-C4' energy: -137.714 flat angles P-C4'-P energy: -115.164 tors. eta vs tors. theta energy: -101.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1108.842130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.842130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.842130 (E_RNA) where: Base-Base interactions energy: -584.483 where: short stacking energy: -300.013 Base-Backbone interact. energy: -3.029 local terms energy: -521.330230 where: bonds (distance) C4'-P energy: -139.513 bonds (distance) P-C4' energy: -153.420 flat angles C4'-P-C4' energy: -128.966 flat angles P-C4'-P energy: -76.893 tors. eta vs tors. theta energy: -22.539 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: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -908.098439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.098439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.098439 (E_RNA) where: Base-Base interactions energy: -460.251 where: short stacking energy: -269.160 Base-Backbone interact. energy: 1.642 local terms energy: -449.489310 where: bonds (distance) C4'-P energy: -125.164 bonds (distance) P-C4' energy: -152.849 flat angles C4'-P-C4' energy: -131.591 flat angles P-C4'-P energy: -66.923 tors. eta vs tors. theta energy: 27.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -649.524799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.524799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.524799 (E_RNA) where: Base-Base interactions energy: -242.096 where: short stacking energy: -191.638 Base-Backbone interact. energy: -3.710 local terms energy: -403.718930 where: bonds (distance) C4'-P energy: -93.573 bonds (distance) P-C4' energy: -134.478 flat angles C4'-P-C4' energy: -125.462 flat angles P-C4'-P energy: -70.210 tors. eta vs tors. theta energy: 20.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3132.941683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.941683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.941683 (E_RNA) where: Base-Base interactions energy: -2165.748 where: short stacking energy: -875.519 Base-Backbone interact. energy: 0.284 local terms energy: -967.476710 where: bonds (distance) C4'-P energy: -176.105 bonds (distance) P-C4' energy: -180.045 flat angles C4'-P-C4' energy: -210.744 flat angles P-C4'-P energy: -124.806 tors. eta vs tors. theta energy: -275.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2881.905168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.905168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.905168 (E_RNA) where: Base-Base interactions energy: -1985.546 where: short stacking energy: -771.025 Base-Backbone interact. energy: -1.661 local terms energy: -894.697916 where: bonds (distance) C4'-P energy: -175.124 bonds (distance) P-C4' energy: -172.516 flat angles C4'-P-C4' energy: -196.306 flat angles P-C4'-P energy: -108.806 tors. eta vs tors. theta energy: -241.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2595.048190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.048190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.048190 (E_RNA) where: Base-Base interactions energy: -1715.465 where: short stacking energy: -729.035 Base-Backbone interact. energy: -1.461 local terms energy: -878.122423 where: bonds (distance) C4'-P energy: -179.642 bonds (distance) P-C4' energy: -180.454 flat angles C4'-P-C4' energy: -186.739 flat angles P-C4'-P energy: -122.888 tors. eta vs tors. theta energy: -208.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2529.315113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.315113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.315113 (E_RNA) where: Base-Base interactions energy: -1703.069 where: short stacking energy: -727.851 Base-Backbone interact. energy: 1.550 local terms energy: -827.796573 where: bonds (distance) C4'-P energy: -164.381 bonds (distance) P-C4' energy: -162.815 flat angles C4'-P-C4' energy: -195.421 flat angles P-C4'-P energy: -114.244 tors. eta vs tors. theta energy: -190.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2452.891717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.891717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.891717 (E_RNA) where: Base-Base interactions energy: -1624.687 where: short stacking energy: -675.223 Base-Backbone interact. energy: -0.971 local terms energy: -827.234344 where: bonds (distance) C4'-P energy: -160.721 bonds (distance) P-C4' energy: -163.086 flat angles C4'-P-C4' energy: -178.282 flat angles P-C4'-P energy: -140.156 tors. eta vs tors. theta energy: -184.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2278.957149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.957149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.957149 (E_RNA) where: Base-Base interactions energy: -1531.108 where: short stacking energy: -666.216 Base-Backbone interact. energy: -2.830 local terms energy: -745.018929 where: bonds (distance) C4'-P energy: -135.304 bonds (distance) P-C4' energy: -160.220 flat angles C4'-P-C4' energy: -168.140 flat angles P-C4'-P energy: -108.338 tors. eta vs tors. theta energy: -173.016 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: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1804.390254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.390254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.390254 (E_RNA) where: Base-Base interactions energy: -1118.464 where: short stacking energy: -503.715 Base-Backbone interact. energy: -3.150 local terms energy: -682.776526 where: bonds (distance) C4'-P energy: -148.761 bonds (distance) P-C4' energy: -152.832 flat angles C4'-P-C4' energy: -165.995 flat angles P-C4'-P energy: -91.417 tors. eta vs tors. theta energy: -123.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1101.232140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.232140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.232140 (E_RNA) where: Base-Base interactions energy: -579.273 where: short stacking energy: -273.629 Base-Backbone interact. energy: -1.684 local terms energy: -520.274884 where: bonds (distance) C4'-P energy: -153.858 bonds (distance) P-C4' energy: -144.093 flat angles C4'-P-C4' energy: -141.841 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: -11.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -917.405184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.405184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.405184 (E_RNA) where: Base-Base interactions energy: -433.805 where: short stacking energy: -266.009 Base-Backbone interact. energy: -2.804 local terms energy: -480.796740 where: bonds (distance) C4'-P energy: -150.775 bonds (distance) P-C4' energy: -147.338 flat angles C4'-P-C4' energy: -133.260 flat angles P-C4'-P energy: -63.501 tors. eta vs tors. theta energy: 14.078 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: 10, replica: 5 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -665.981963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.981963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.981963 (E_RNA) where: Base-Base interactions energy: -182.000 where: short stacking energy: -130.676 Base-Backbone interact. energy: -3.746 local terms energy: -480.235674 where: bonds (distance) C4'-P energy: -134.492 bonds (distance) P-C4' energy: -178.066 flat angles C4'-P-C4' energy: -131.385 flat angles P-C4'-P energy: -68.253 tors. eta vs tors. theta energy: 31.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3098.977547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.977547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.977547 (E_RNA) where: Base-Base interactions energy: -2123.274 where: short stacking energy: -874.236 Base-Backbone interact. energy: -3.314 local terms energy: -972.389945 where: bonds (distance) C4'-P energy: -186.916 bonds (distance) P-C4' energy: -173.690 flat angles C4'-P-C4' energy: -214.228 flat angles P-C4'-P energy: -129.198 tors. eta vs tors. theta energy: -268.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2868.924849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.924849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.924849 (E_RNA) where: Base-Base interactions energy: -1984.490 where: short stacking energy: -829.021 Base-Backbone interact. energy: -3.907 local terms energy: -880.527420 where: bonds (distance) C4'-P energy: -187.960 bonds (distance) P-C4' energy: -143.319 flat angles C4'-P-C4' energy: -192.599 flat angles P-C4'-P energy: -124.718 tors. eta vs tors. theta energy: -231.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2621.041072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.041072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.041072 (E_RNA) where: Base-Base interactions energy: -1712.564 where: short stacking energy: -739.293 Base-Backbone interact. energy: -2.520 local terms energy: -905.957581 where: bonds (distance) C4'-P energy: -171.386 bonds (distance) P-C4' energy: -178.522 flat angles C4'-P-C4' energy: -201.414 flat angles P-C4'-P energy: -133.007 tors. eta vs tors. theta energy: -221.628 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: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2540.568295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.568295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.568295 (E_RNA) where: Base-Base interactions energy: -1717.900 where: short stacking energy: -729.450 Base-Backbone interact. energy: -0.560 local terms energy: -822.107862 where: bonds (distance) C4'-P energy: -159.602 bonds (distance) P-C4' energy: -157.170 flat angles C4'-P-C4' energy: -172.415 flat angles P-C4'-P energy: -118.677 tors. eta vs tors. theta energy: -214.244 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: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2449.686885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.686885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.686885 (E_RNA) where: Base-Base interactions energy: -1665.585 where: short stacking energy: -681.243 Base-Backbone interact. energy: -3.503 local terms energy: -780.599624 where: bonds (distance) C4'-P energy: -144.671 bonds (distance) P-C4' energy: -155.397 flat angles C4'-P-C4' energy: -174.772 flat angles P-C4'-P energy: -109.782 tors. eta vs tors. theta energy: -195.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2246.031887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.031887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.031887 (E_RNA) where: Base-Base interactions energy: -1482.254 where: short stacking energy: -646.193 Base-Backbone interact. energy: -2.084 local terms energy: -761.693706 where: bonds (distance) C4'-P energy: -173.711 bonds (distance) P-C4' energy: -154.475 flat angles C4'-P-C4' energy: -166.818 flat angles P-C4'-P energy: -105.078 tors. eta vs tors. theta energy: -161.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1721.689222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.689222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.689222 (E_RNA) where: Base-Base interactions energy: -1066.519 where: short stacking energy: -496.141 Base-Backbone interact. energy: 4.210 local terms energy: -659.380081 where: bonds (distance) C4'-P energy: -158.799 bonds (distance) P-C4' energy: -154.286 flat angles C4'-P-C4' energy: -151.231 flat angles P-C4'-P energy: -91.513 tors. eta vs tors. theta energy: -103.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1102.396897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.396897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.396897 (E_RNA) where: Base-Base interactions energy: -566.246 where: short stacking energy: -329.578 Base-Backbone interact. energy: -0.189 local terms energy: -535.961722 where: bonds (distance) C4'-P energy: -154.445 bonds (distance) P-C4' energy: -138.989 flat angles C4'-P-C4' energy: -116.368 flat angles P-C4'-P energy: -97.790 tors. eta vs tors. theta energy: -28.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -916.729967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.729967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.729967 (E_RNA) where: Base-Base interactions energy: -398.232 where: short stacking energy: -264.253 Base-Backbone interact. energy: -1.925 local terms energy: -516.573058 where: bonds (distance) C4'-P energy: -141.715 bonds (distance) P-C4' energy: -146.060 flat angles C4'-P-C4' energy: -135.586 flat angles P-C4'-P energy: -79.811 tors. eta vs tors. theta energy: -13.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -652.388534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.388534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.388534 (E_RNA) where: Base-Base interactions energy: -199.669 where: short stacking energy: -142.075 Base-Backbone interact. energy: 1.038 local terms energy: -453.757578 where: bonds (distance) C4'-P energy: -150.942 bonds (distance) P-C4' energy: -144.637 flat angles C4'-P-C4' energy: -124.188 flat angles P-C4'-P energy: -84.662 tors. eta vs tors. theta energy: 50.672 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: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3061.517195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.517195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.517195 (E_RNA) where: Base-Base interactions energy: -2096.458 where: short stacking energy: -888.184 Base-Backbone interact. energy: 0.774 local terms energy: -965.832631 where: bonds (distance) C4'-P energy: -169.815 bonds (distance) P-C4' energy: -193.603 flat angles C4'-P-C4' energy: -209.582 flat angles P-C4'-P energy: -142.925 tors. eta vs tors. theta energy: -249.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2901.679900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.679900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.679900 (E_RNA) where: Base-Base interactions energy: -2001.990 where: short stacking energy: -783.546 Base-Backbone interact. energy: 1.635 local terms energy: -901.324962 where: bonds (distance) C4'-P energy: -185.281 bonds (distance) P-C4' energy: -195.626 flat angles C4'-P-C4' energy: -190.217 flat angles P-C4'-P energy: -107.838 tors. eta vs tors. theta energy: -222.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2653.933147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.933147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.933147 (E_RNA) where: Base-Base interactions energy: -1744.354 where: short stacking energy: -753.331 Base-Backbone interact. energy: -2.711 local terms energy: -906.868332 where: bonds (distance) C4'-P energy: -181.915 bonds (distance) P-C4' energy: -168.966 flat angles C4'-P-C4' energy: -193.292 flat angles P-C4'-P energy: -125.845 tors. eta vs tors. theta energy: -236.850 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: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2556.799535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.799535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.799535 (E_RNA) where: Base-Base interactions energy: -1707.133 where: short stacking energy: -721.052 Base-Backbone interact. energy: -0.659 local terms energy: -849.007648 where: bonds (distance) C4'-P energy: -155.956 bonds (distance) P-C4' energy: -181.768 flat angles C4'-P-C4' energy: -189.502 flat angles P-C4'-P energy: -102.599 tors. eta vs tors. theta energy: -219.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2539.238342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.238342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.238342 (E_RNA) where: Base-Base interactions energy: -1719.419 where: short stacking energy: -727.944 Base-Backbone interact. energy: -1.017 local terms energy: -818.801543 where: bonds (distance) C4'-P energy: -162.779 bonds (distance) P-C4' energy: -159.223 flat angles C4'-P-C4' energy: -165.847 flat angles P-C4'-P energy: -127.624 tors. eta vs tors. theta energy: -203.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2259.263757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.263757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.263757 (E_RNA) where: Base-Base interactions energy: -1475.280 where: short stacking energy: -615.163 Base-Backbone interact. energy: 1.464 local terms energy: -785.447169 where: bonds (distance) C4'-P energy: -134.580 bonds (distance) P-C4' energy: -172.801 flat angles C4'-P-C4' energy: -188.189 flat angles P-C4'-P energy: -108.777 tors. eta vs tors. theta energy: -181.099 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: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1775.950812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.950812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.950812 (E_RNA) where: Base-Base interactions energy: -1132.556 where: short stacking energy: -485.880 Base-Backbone interact. energy: 0.331 local terms energy: -643.726130 where: bonds (distance) C4'-P energy: -134.175 bonds (distance) P-C4' energy: -157.579 flat angles C4'-P-C4' energy: -156.263 flat angles P-C4'-P energy: -89.200 tors. eta vs tors. theta energy: -106.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1127.548455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.548455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.548455 (E_RNA) where: Base-Base interactions energy: -569.342 where: short stacking energy: -280.379 Base-Backbone interact. energy: -1.701 local terms energy: -556.505508 where: bonds (distance) C4'-P energy: -147.237 bonds (distance) P-C4' energy: -164.036 flat angles C4'-P-C4' energy: -142.303 flat angles P-C4'-P energy: -81.662 tors. eta vs tors. theta energy: -21.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -867.770831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.770831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.770831 (E_RNA) where: Base-Base interactions energy: -370.822 where: short stacking energy: -229.542 Base-Backbone interact. energy: 11.759 local terms energy: -508.708671 where: bonds (distance) C4'-P energy: -135.564 bonds (distance) P-C4' energy: -150.163 flat angles C4'-P-C4' energy: -148.846 flat angles P-C4'-P energy: -83.780 tors. eta vs tors. theta energy: 9.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -673.099580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.099580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.099580 (E_RNA) where: Base-Base interactions energy: -270.171 where: short stacking energy: -189.873 Base-Backbone interact. energy: 4.067 local terms energy: -406.996016 where: bonds (distance) C4'-P energy: -141.990 bonds (distance) P-C4' energy: -143.557 flat angles C4'-P-C4' energy: -104.955 flat angles P-C4'-P energy: -36.816 tors. eta vs tors. theta energy: 20.322 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: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3094.645634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.645634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.645634 (E_RNA) where: Base-Base interactions energy: -2135.135 where: short stacking energy: -854.895 Base-Backbone interact. energy: 6.889 local terms energy: -966.399750 where: bonds (distance) C4'-P energy: -191.088 bonds (distance) P-C4' energy: -167.715 flat angles C4'-P-C4' energy: -209.679 flat angles P-C4'-P energy: -141.809 tors. eta vs tors. theta energy: -256.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2861.019702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.019702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.019702 (E_RNA) where: Base-Base interactions energy: -1976.444 where: short stacking energy: -769.639 Base-Backbone interact. energy: -1.560 local terms energy: -883.015189 where: bonds (distance) C4'-P energy: -165.424 bonds (distance) P-C4' energy: -171.283 flat angles C4'-P-C4' energy: -180.566 flat angles P-C4'-P energy: -133.485 tors. eta vs tors. theta energy: -232.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2605.972682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.972682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.972682 (E_RNA) where: Base-Base interactions energy: -1687.072 where: short stacking energy: -771.849 Base-Backbone interact. energy: -3.942 local terms energy: -914.959325 where: bonds (distance) C4'-P energy: -189.723 bonds (distance) P-C4' energy: -179.836 flat angles C4'-P-C4' energy: -190.945 flat angles P-C4'-P energy: -130.535 tors. eta vs tors. theta energy: -223.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2570.276039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.276039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.276039 (E_RNA) where: Base-Base interactions energy: -1723.600 where: short stacking energy: -747.315 Base-Backbone interact. energy: -5.812 local terms energy: -840.863851 where: bonds (distance) C4'-P energy: -156.746 bonds (distance) P-C4' energy: -149.473 flat angles C4'-P-C4' energy: -191.376 flat angles P-C4'-P energy: -131.432 tors. eta vs tors. theta energy: -211.837 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: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2465.521716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.521716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.521716 (E_RNA) where: Base-Base interactions energy: -1631.202 where: short stacking energy: -654.533 Base-Backbone interact. energy: -3.226 local terms energy: -831.093778 where: bonds (distance) C4'-P energy: -163.009 bonds (distance) P-C4' energy: -172.321 flat angles C4'-P-C4' energy: -180.210 flat angles P-C4'-P energy: -134.026 tors. eta vs tors. theta energy: -181.527 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: 10 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2203.327808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.327808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.327808 (E_RNA) where: Base-Base interactions energy: -1420.617 where: short stacking energy: -575.173 Base-Backbone interact. energy: 0.049 local terms energy: -782.759913 where: bonds (distance) C4'-P energy: -151.468 bonds (distance) P-C4' energy: -161.164 flat angles C4'-P-C4' energy: -205.884 flat angles P-C4'-P energy: -105.650 tors. eta vs tors. theta energy: -158.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1725.680437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.680437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.680437 (E_RNA) where: Base-Base interactions energy: -1072.394 where: short stacking energy: -479.138 Base-Backbone interact. energy: -4.301 local terms energy: -648.984855 where: bonds (distance) C4'-P energy: -147.170 bonds (distance) P-C4' energy: -158.575 flat angles C4'-P-C4' energy: -152.192 flat angles P-C4'-P energy: -89.293 tors. eta vs tors. theta energy: -101.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1131.972298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.972298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.972298 (E_RNA) where: Base-Base interactions energy: -605.963 where: short stacking energy: -308.852 Base-Backbone interact. energy: 3.568 local terms energy: -529.577049 where: bonds (distance) C4'-P energy: -156.052 bonds (distance) P-C4' energy: -141.655 flat angles C4'-P-C4' energy: -123.591 flat angles P-C4'-P energy: -88.203 tors. eta vs tors. theta energy: -20.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -965.611454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.611454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.611454 (E_RNA) where: Base-Base interactions energy: -425.487 where: short stacking energy: -272.921 Base-Backbone interact. energy: 0.156 local terms energy: -540.279704 where: bonds (distance) C4'-P energy: -163.826 bonds (distance) P-C4' energy: -147.602 flat angles C4'-P-C4' energy: -126.796 flat angles P-C4'-P energy: -83.505 tors. eta vs tors. theta energy: -18.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -638.969259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.969259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.969259 (E_RNA) where: Base-Base interactions energy: -224.815 where: short stacking energy: -142.175 Base-Backbone interact. energy: -2.281 local terms energy: -411.873212 where: bonds (distance) C4'-P energy: -133.903 bonds (distance) P-C4' energy: -147.130 flat angles C4'-P-C4' energy: -124.821 flat angles P-C4'-P energy: -61.179 tors. eta vs tors. theta energy: 55.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3074.958434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.958434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.958434 (E_RNA) where: Base-Base interactions energy: -2129.214 where: short stacking energy: -888.799 Base-Backbone interact. energy: -2.597 local terms energy: -943.147063 where: bonds (distance) C4'-P energy: -163.370 bonds (distance) P-C4' energy: -178.964 flat angles C4'-P-C4' energy: -208.254 flat angles P-C4'-P energy: -127.574 tors. eta vs tors. theta energy: -264.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2909.449608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.449608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.449608 (E_RNA) where: Base-Base interactions energy: -1988.688 where: short stacking energy: -790.778 Base-Backbone interact. energy: -2.755 local terms energy: -918.006462 where: bonds (distance) C4'-P energy: -177.729 bonds (distance) P-C4' energy: -179.125 flat angles C4'-P-C4' energy: -184.610 flat angles P-C4'-P energy: -135.390 tors. eta vs tors. theta energy: -241.152 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: 7 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2602.698409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.698409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.698409 (E_RNA) where: Base-Base interactions energy: -1745.472 where: short stacking energy: -754.163 Base-Backbone interact. energy: 7.372 local terms energy: -864.598324 where: bonds (distance) C4'-P energy: -175.732 bonds (distance) P-C4' energy: -181.831 flat angles C4'-P-C4' energy: -177.136 flat angles P-C4'-P energy: -128.731 tors. eta vs tors. theta energy: -201.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2561.092019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.092019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.092019 (E_RNA) where: Base-Base interactions energy: -1709.546 where: short stacking energy: -734.551 Base-Backbone interact. energy: -4.469 local terms energy: -847.077044 where: bonds (distance) C4'-P energy: -165.382 bonds (distance) P-C4' energy: -161.650 flat angles C4'-P-C4' energy: -193.635 flat angles P-C4'-P energy: -122.130 tors. eta vs tors. theta energy: -204.281 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: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2453.914846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.914846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.914846 (E_RNA) where: Base-Base interactions energy: -1647.924 where: short stacking energy: -645.088 Base-Backbone interact. energy: -6.949 local terms energy: -799.042490 where: bonds (distance) C4'-P energy: -153.857 bonds (distance) P-C4' energy: -170.305 flat angles C4'-P-C4' energy: -182.288 flat angles P-C4'-P energy: -101.418 tors. eta vs tors. theta energy: -191.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2204.374919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.374919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.374919 (E_RNA) where: Base-Base interactions energy: -1431.545 where: short stacking energy: -606.811 Base-Backbone interact. energy: 0.817 local terms energy: -773.646207 where: bonds (distance) C4'-P energy: -170.253 bonds (distance) P-C4' energy: -143.235 flat angles C4'-P-C4' energy: -187.718 flat angles P-C4'-P energy: -114.909 tors. eta vs tors. theta energy: -157.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1738.367661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.367661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.367661 (E_RNA) where: Base-Base interactions energy: -1078.019 where: short stacking energy: -499.252 Base-Backbone interact. energy: 0.218 local terms energy: -660.566760 where: bonds (distance) C4'-P energy: -159.502 bonds (distance) P-C4' energy: -149.160 flat angles C4'-P-C4' energy: -163.815 flat angles P-C4'-P energy: -77.880 tors. eta vs tors. theta energy: -110.210 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: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1062.702286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.702286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.702286 (E_RNA) where: Base-Base interactions energy: -574.571 where: short stacking energy: -302.059 Base-Backbone interact. energy: 1.892 local terms energy: -490.022695 where: bonds (distance) C4'-P energy: -140.616 bonds (distance) P-C4' energy: -143.795 flat angles C4'-P-C4' energy: -137.372 flat angles P-C4'-P energy: -58.663 tors. eta vs tors. theta energy: -9.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -889.267688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.267688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.267688 (E_RNA) where: Base-Base interactions energy: -395.658 where: short stacking energy: -247.019 Base-Backbone interact. energy: -2.011 local terms energy: -491.598631 where: bonds (distance) C4'-P energy: -139.981 bonds (distance) P-C4' energy: -131.847 flat angles C4'-P-C4' energy: -155.138 flat angles P-C4'-P energy: -76.236 tors. eta vs tors. theta energy: 11.603 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: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -646.348349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.348349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.348349 (E_RNA) where: Base-Base interactions energy: -263.679 where: short stacking energy: -178.132 Base-Backbone interact. energy: 1.764 local terms energy: -384.433067 where: bonds (distance) C4'-P energy: -147.264 bonds (distance) P-C4' energy: -142.436 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -42.250 tors. eta vs tors. theta energy: 61.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3099.928348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.928348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.928348 (E_RNA) where: Base-Base interactions energy: -2140.940 where: short stacking energy: -877.120 Base-Backbone interact. energy: -6.002 local terms energy: -952.986716 where: bonds (distance) C4'-P energy: -164.125 bonds (distance) P-C4' energy: -176.881 flat angles C4'-P-C4' energy: -210.978 flat angles P-C4'-P energy: -138.892 tors. eta vs tors. theta energy: -262.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2863.652101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.652101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.652101 (E_RNA) where: Base-Base interactions energy: -1965.000 where: short stacking energy: -803.979 Base-Backbone interact. energy: -2.111 local terms energy: -896.540718 where: bonds (distance) C4'-P energy: -175.813 bonds (distance) P-C4' energy: -180.377 flat angles C4'-P-C4' energy: -183.911 flat angles P-C4'-P energy: -125.071 tors. eta vs tors. theta energy: -231.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2721.951570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.951570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.951570 (E_RNA) where: Base-Base interactions energy: -1827.839 where: short stacking energy: -771.455 Base-Backbone interact. energy: -3.663 local terms energy: -890.450225 where: bonds (distance) C4'-P energy: -168.216 bonds (distance) P-C4' energy: -181.712 flat angles C4'-P-C4' energy: -207.316 flat angles P-C4'-P energy: -122.890 tors. eta vs tors. theta energy: -210.317 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: 9 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2494.778472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.778472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.778472 (E_RNA) where: Base-Base interactions energy: -1681.562 where: short stacking energy: -741.314 Base-Backbone interact. energy: -5.418 local terms energy: -807.799305 where: bonds (distance) C4'-P energy: -157.482 bonds (distance) P-C4' energy: -162.843 flat angles C4'-P-C4' energy: -175.454 flat angles P-C4'-P energy: -101.105 tors. eta vs tors. theta energy: -210.915 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: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2426.598794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.598794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.598794 (E_RNA) where: Base-Base interactions energy: -1618.185 where: short stacking energy: -662.961 Base-Backbone interact. energy: -5.241 local terms energy: -803.173504 where: bonds (distance) C4'-P energy: -165.798 bonds (distance) P-C4' energy: -165.856 flat angles C4'-P-C4' energy: -193.230 flat angles P-C4'-P energy: -108.498 tors. eta vs tors. theta energy: -169.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2152.232832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.232832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.232832 (E_RNA) where: Base-Base interactions energy: -1407.699 where: short stacking energy: -602.591 Base-Backbone interact. energy: -1.082 local terms energy: -743.451035 where: bonds (distance) C4'-P energy: -157.322 bonds (distance) P-C4' energy: -153.945 flat angles C4'-P-C4' energy: -182.093 flat angles P-C4'-P energy: -97.133 tors. eta vs tors. theta energy: -152.957 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: 277 Temperature: 1.200000 Total energy: -1671.916103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.916103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.916103 (E_RNA) where: Base-Base interactions energy: -1010.671 where: short stacking energy: -484.236 Base-Backbone interact. energy: -1.815 local terms energy: -659.429551 where: bonds (distance) C4'-P energy: -163.741 bonds (distance) P-C4' energy: -164.559 flat angles C4'-P-C4' energy: -155.188 flat angles P-C4'-P energy: -88.025 tors. eta vs tors. theta energy: -87.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1160.566300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.566300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.566300 (E_RNA) where: Base-Base interactions energy: -600.073 where: short stacking energy: -300.848 Base-Backbone interact. energy: 1.915 local terms energy: -562.407737 where: bonds (distance) C4'-P energy: -152.575 bonds (distance) P-C4' energy: -164.924 flat angles C4'-P-C4' energy: -145.120 flat angles P-C4'-P energy: -89.123 tors. eta vs tors. theta energy: -10.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -895.809617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.809617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.809617 (E_RNA) where: Base-Base interactions energy: -399.832 where: short stacking energy: -224.625 Base-Backbone interact. energy: -1.699 local terms energy: -494.279192 where: bonds (distance) C4'-P energy: -152.847 bonds (distance) P-C4' energy: -139.132 flat angles C4'-P-C4' energy: -134.383 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: 3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -653.002250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.002250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.002250 (E_RNA) where: Base-Base interactions energy: -247.200 where: short stacking energy: -189.270 Base-Backbone interact. energy: 0.841 local terms energy: -406.643012 where: bonds (distance) C4'-P energy: -132.023 bonds (distance) P-C4' energy: -158.171 flat angles C4'-P-C4' energy: -117.640 flat angles P-C4'-P energy: -54.228 tors. eta vs tors. theta energy: 55.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3131.339905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.339905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.339905 (E_RNA) where: Base-Base interactions energy: -2188.649 where: short stacking energy: -883.173 Base-Backbone interact. energy: 0.326 local terms energy: -943.016538 where: bonds (distance) C4'-P energy: -172.975 bonds (distance) P-C4' energy: -183.725 flat angles C4'-P-C4' energy: -189.254 flat angles P-C4'-P energy: -128.622 tors. eta vs tors. theta energy: -268.440 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: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2921.974936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.974936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.974936 (E_RNA) where: Base-Base interactions energy: -2031.535 where: short stacking energy: -821.988 Base-Backbone interact. energy: 0.399 local terms energy: -890.838698 where: bonds (distance) C4'-P energy: -179.895 bonds (distance) P-C4' energy: -165.591 flat angles C4'-P-C4' energy: -180.563 flat angles P-C4'-P energy: -131.220 tors. eta vs tors. theta energy: -233.570 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: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2733.906268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.906268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.906268 (E_RNA) where: Base-Base interactions energy: -1867.835 where: short stacking energy: -796.383 Base-Backbone interact. energy: 2.736 local terms energy: -868.807163 where: bonds (distance) C4'-P energy: -158.557 bonds (distance) P-C4' energy: -158.576 flat angles C4'-P-C4' energy: -194.455 flat angles P-C4'-P energy: -128.631 tors. eta vs tors. theta energy: -228.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2476.982648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.982648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.982648 (E_RNA) where: Base-Base interactions energy: -1603.359 where: short stacking energy: -688.942 Base-Backbone interact. energy: -5.440 local terms energy: -868.183657 where: bonds (distance) C4'-P energy: -157.327 bonds (distance) P-C4' energy: -160.190 flat angles C4'-P-C4' energy: -194.769 flat angles P-C4'-P energy: -151.587 tors. eta vs tors. theta energy: -204.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2385.686912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.686912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.686912 (E_RNA) where: Base-Base interactions energy: -1596.040 where: short stacking energy: -598.823 Base-Backbone interact. energy: -5.711 local terms energy: -783.936140 where: bonds (distance) C4'-P energy: -159.802 bonds (distance) P-C4' energy: -153.331 flat angles C4'-P-C4' energy: -190.642 flat angles P-C4'-P energy: -115.520 tors. eta vs tors. theta energy: -164.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2210.298125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.298125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.298125 (E_RNA) where: Base-Base interactions energy: -1462.605 where: short stacking energy: -592.797 Base-Backbone interact. energy: 0.162 local terms energy: -747.854618 where: bonds (distance) C4'-P energy: -141.064 bonds (distance) P-C4' energy: -175.271 flat angles C4'-P-C4' energy: -160.946 flat angles P-C4'-P energy: -110.631 tors. eta vs tors. theta energy: -159.942 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: 7, replica: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1749.438989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.438989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.438989 (E_RNA) where: Base-Base interactions energy: -1091.840 where: short stacking energy: -494.555 Base-Backbone interact. energy: -1.008 local terms energy: -656.590793 where: bonds (distance) C4'-P energy: -154.325 bonds (distance) P-C4' energy: -159.457 flat angles C4'-P-C4' energy: -139.788 flat angles P-C4'-P energy: -89.166 tors. eta vs tors. theta energy: -113.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1131.220949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.220949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.220949 (E_RNA) where: Base-Base interactions energy: -605.414 where: short stacking energy: -311.676 Base-Backbone interact. energy: -3.835 local terms energy: -521.971813 where: bonds (distance) C4'-P energy: -137.400 bonds (distance) P-C4' energy: -165.033 flat angles C4'-P-C4' energy: -124.949 flat angles P-C4'-P energy: -84.912 tors. eta vs tors. theta energy: -9.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -841.434238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.434238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.434238 (E_RNA) where: Base-Base interactions energy: -360.322 where: short stacking energy: -218.170 Base-Backbone interact. energy: -0.378 local terms energy: -480.734304 where: bonds (distance) C4'-P energy: -149.281 bonds (distance) P-C4' energy: -160.693 flat angles C4'-P-C4' energy: -112.902 flat angles P-C4'-P energy: -84.039 tors. eta vs tors. theta energy: 26.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -795.591187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.591187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.591187 (E_RNA) where: Base-Base interactions energy: -326.845 where: short stacking energy: -210.473 Base-Backbone interact. energy: 0.233 local terms energy: -468.980088 where: bonds (distance) C4'-P energy: -143.582 bonds (distance) P-C4' energy: -150.411 flat angles C4'-P-C4' energy: -118.953 flat angles P-C4'-P energy: -85.037 tors. eta vs tors. theta energy: 29.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3104.923285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.923285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.923285 (E_RNA) where: Base-Base interactions energy: -2148.285 where: short stacking energy: -871.490 Base-Backbone interact. energy: -3.308 local terms energy: -953.329725 where: bonds (distance) C4'-P energy: -175.910 bonds (distance) P-C4' energy: -179.383 flat angles C4'-P-C4' energy: -199.803 flat angles P-C4'-P energy: -126.574 tors. eta vs tors. theta energy: -271.660 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: 2, replica: 6 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2868.131685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.131685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.131685 (E_RNA) where: Base-Base interactions energy: -1969.517 where: short stacking energy: -790.026 Base-Backbone interact. energy: -2.110 local terms energy: -896.503874 where: bonds (distance) C4'-P energy: -170.394 bonds (distance) P-C4' energy: -185.480 flat angles C4'-P-C4' energy: -188.739 flat angles P-C4'-P energy: -124.316 tors. eta vs tors. theta energy: -227.575 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: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2732.484523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.484523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.484523 (E_RNA) where: Base-Base interactions energy: -1825.860 where: short stacking energy: -772.311 Base-Backbone interact. energy: -3.292 local terms energy: -903.332485 where: bonds (distance) C4'-P energy: -157.553 bonds (distance) P-C4' energy: -197.025 flat angles C4'-P-C4' energy: -190.569 flat angles P-C4'-P energy: -136.300 tors. eta vs tors. theta energy: -221.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2499.639770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.639770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.639770 (E_RNA) where: Base-Base interactions energy: -1636.392 where: short stacking energy: -718.903 Base-Backbone interact. energy: 1.758 local terms energy: -865.005821 where: bonds (distance) C4'-P energy: -157.270 bonds (distance) P-C4' energy: -179.098 flat angles C4'-P-C4' energy: -196.486 flat angles P-C4'-P energy: -119.176 tors. eta vs tors. theta energy: -212.976 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: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2438.794861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.794861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.794861 (E_RNA) where: Base-Base interactions energy: -1612.511 where: short stacking energy: -647.394 Base-Backbone interact. energy: -0.408 local terms energy: -825.875450 where: bonds (distance) C4'-P energy: -162.465 bonds (distance) P-C4' energy: -175.951 flat angles C4'-P-C4' energy: -170.462 flat angles P-C4'-P energy: -133.895 tors. eta vs tors. theta energy: -183.103 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: 10 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2241.647952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.647952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.647952 (E_RNA) where: Base-Base interactions energy: -1479.056 where: short stacking energy: -599.071 Base-Backbone interact. energy: -0.222 local terms energy: -762.369340 where: bonds (distance) C4'-P energy: -181.293 bonds (distance) P-C4' energy: -145.218 flat angles C4'-P-C4' energy: -161.672 flat angles P-C4'-P energy: -108.613 tors. eta vs tors. theta energy: -165.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1688.767538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.767538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.767538 (E_RNA) where: Base-Base interactions energy: -1024.059 where: short stacking energy: -469.990 Base-Backbone interact. energy: 0.009 local terms energy: -664.717435 where: bonds (distance) C4'-P energy: -164.443 bonds (distance) P-C4' energy: -147.947 flat angles C4'-P-C4' energy: -174.621 flat angles P-C4'-P energy: -90.444 tors. eta vs tors. theta energy: -87.262 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: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1162.093531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.093531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.093531 (E_RNA) where: Base-Base interactions energy: -610.717 where: short stacking energy: -304.084 Base-Backbone interact. energy: 1.155 local terms energy: -552.531309 where: bonds (distance) C4'-P energy: -126.476 bonds (distance) P-C4' energy: -173.017 flat angles C4'-P-C4' energy: -143.010 flat angles P-C4'-P energy: -98.029 tors. eta vs tors. theta energy: -11.999 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: 9, replica: 8 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -866.730848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.730848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.730848 (E_RNA) where: Base-Base interactions energy: -404.037 where: short stacking energy: -241.684 Base-Backbone interact. energy: -0.086 local terms energy: -462.608578 where: bonds (distance) C4'-P energy: -143.953 bonds (distance) P-C4' energy: -148.639 flat angles C4'-P-C4' energy: -131.685 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: 20.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -641.840869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.840869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.840869 (E_RNA) where: Base-Base interactions energy: -191.566 where: short stacking energy: -167.673 Base-Backbone interact. energy: 3.792 local terms energy: -454.066632 where: bonds (distance) C4'-P energy: -135.974 bonds (distance) P-C4' energy: -150.206 flat angles C4'-P-C4' energy: -129.454 flat angles P-C4'-P energy: -71.385 tors. eta vs tors. theta energy: 32.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3087.811812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.811812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.811812 (E_RNA) where: Base-Base interactions energy: -2089.687 where: short stacking energy: -873.827 Base-Backbone interact. energy: -1.381 local terms energy: -996.744042 where: bonds (distance) C4'-P energy: -193.612 bonds (distance) P-C4' energy: -177.772 flat angles C4'-P-C4' energy: -216.775 flat angles P-C4'-P energy: -142.539 tors. eta vs tors. theta energy: -266.046 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: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2878.444964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.444964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.444964 (E_RNA) where: Base-Base interactions energy: -1976.544 where: short stacking energy: -823.614 Base-Backbone interact. energy: -0.165 local terms energy: -901.736263 where: bonds (distance) C4'-P energy: -163.354 bonds (distance) P-C4' energy: -184.271 flat angles C4'-P-C4' energy: -194.762 flat angles P-C4'-P energy: -114.753 tors. eta vs tors. theta energy: -244.597 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: 7 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2752.274333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.274333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.274333 (E_RNA) where: Base-Base interactions energy: -1852.323 where: short stacking energy: -793.512 Base-Backbone interact. energy: 0.738 local terms energy: -900.689027 where: bonds (distance) C4'-P energy: -176.158 bonds (distance) P-C4' energy: -179.800 flat angles C4'-P-C4' energy: -186.316 flat angles P-C4'-P energy: -124.942 tors. eta vs tors. theta energy: -233.474 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: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2590.018572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.018572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.018572 (E_RNA) where: Base-Base interactions energy: -1757.755 where: short stacking energy: -767.308 Base-Backbone interact. energy: -4.524 local terms energy: -827.739402 where: bonds (distance) C4'-P energy: -154.248 bonds (distance) P-C4' energy: -163.291 flat angles C4'-P-C4' energy: -184.439 flat angles P-C4'-P energy: -101.318 tors. eta vs tors. theta energy: -224.443 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: 4 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2428.356985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.356985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.356985 (E_RNA) where: Base-Base interactions energy: -1666.539 where: short stacking energy: -670.421 Base-Backbone interact. energy: -3.373 local terms energy: -758.445886 where: bonds (distance) C4'-P energy: -129.528 bonds (distance) P-C4' energy: -179.483 flat angles C4'-P-C4' energy: -158.753 flat angles P-C4'-P energy: -103.096 tors. eta vs tors. theta energy: -187.585 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: 6, replica: 10 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2277.091231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.091231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.091231 (E_RNA) where: Base-Base interactions energy: -1502.501 where: short stacking energy: -627.461 Base-Backbone interact. energy: -2.441 local terms energy: -772.148447 where: bonds (distance) C4'-P energy: -159.723 bonds (distance) P-C4' energy: -165.787 flat angles C4'-P-C4' energy: -171.919 flat angles P-C4'-P energy: -107.835 tors. eta vs tors. theta energy: -166.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1663.064176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.064176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.064176 (E_RNA) where: Base-Base interactions energy: -1004.522 where: short stacking energy: -482.594 Base-Backbone interact. energy: 2.601 local terms energy: -661.142882 where: bonds (distance) C4'-P energy: -163.451 bonds (distance) P-C4' energy: -134.713 flat angles C4'-P-C4' energy: -166.394 flat angles P-C4'-P energy: -99.777 tors. eta vs tors. theta energy: -96.807 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: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1108.571118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.571118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.571118 (E_RNA) where: Base-Base interactions energy: -588.725 where: short stacking energy: -305.762 Base-Backbone interact. energy: 3.101 local terms energy: -522.947289 where: bonds (distance) C4'-P energy: -134.351 bonds (distance) P-C4' energy: -163.176 flat angles C4'-P-C4' energy: -130.807 flat angles P-C4'-P energy: -85.451 tors. eta vs tors. theta energy: -9.162 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: 8 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -853.738634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.738634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.738634 (E_RNA) where: Base-Base interactions energy: -371.438 where: short stacking energy: -228.956 Base-Backbone interact. energy: 1.858 local terms energy: -484.158943 where: bonds (distance) C4'-P energy: -155.125 bonds (distance) P-C4' energy: -164.792 flat angles C4'-P-C4' energy: -116.958 flat angles P-C4'-P energy: -61.537 tors. eta vs tors. theta energy: 14.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -634.020003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.020003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.020003 (E_RNA) where: Base-Base interactions energy: -191.534 where: short stacking energy: -145.345 Base-Backbone interact. energy: -5.535 local terms energy: -436.951269 where: bonds (distance) C4'-P energy: -134.849 bonds (distance) P-C4' energy: -151.924 flat angles C4'-P-C4' energy: -125.315 flat angles P-C4'-P energy: -63.833 tors. eta vs tors. theta energy: 38.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3092.477864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.477864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.477864 (E_RNA) where: Base-Base interactions energy: -2136.971 where: short stacking energy: -875.035 Base-Backbone interact. energy: -3.482 local terms energy: -952.024261 where: bonds (distance) C4'-P energy: -159.323 bonds (distance) P-C4' energy: -182.604 flat angles C4'-P-C4' energy: -202.915 flat angles P-C4'-P energy: -140.717 tors. eta vs tors. theta energy: -266.466 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: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2911.867335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.867335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.867335 (E_RNA) where: Base-Base interactions energy: -2012.619 where: short stacking energy: -809.724 Base-Backbone interact. energy: -0.589 local terms energy: -898.659844 where: bonds (distance) C4'-P energy: -176.378 bonds (distance) P-C4' energy: -157.154 flat angles C4'-P-C4' energy: -191.178 flat angles P-C4'-P energy: -144.982 tors. eta vs tors. theta energy: -228.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2757.278555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.278555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.278555 (E_RNA) where: Base-Base interactions energy: -1879.897 where: short stacking energy: -774.001 Base-Backbone interact. energy: -4.261 local terms energy: -873.120805 where: bonds (distance) C4'-P energy: -180.912 bonds (distance) P-C4' energy: -159.399 flat angles C4'-P-C4' energy: -187.154 flat angles P-C4'-P energy: -110.795 tors. eta vs tors. theta energy: -234.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2530.589125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.589125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.589125 (E_RNA) where: Base-Base interactions energy: -1695.766 where: short stacking energy: -725.377 Base-Backbone interact. energy: -3.624 local terms energy: -831.199403 where: bonds (distance) C4'-P energy: -153.307 bonds (distance) P-C4' energy: -163.314 flat angles C4'-P-C4' energy: -185.800 flat angles P-C4'-P energy: -114.455 tors. eta vs tors. theta energy: -214.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2356.703500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.703500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.703500 (E_RNA) where: Base-Base interactions energy: -1553.761 where: short stacking energy: -654.712 Base-Backbone interact. energy: -0.516 local terms energy: -802.426989 where: bonds (distance) C4'-P energy: -154.127 bonds (distance) P-C4' energy: -162.520 flat angles C4'-P-C4' energy: -169.101 flat angles P-C4'-P energy: -128.119 tors. eta vs tors. theta energy: -188.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2289.069889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.069889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.069889 (E_RNA) where: Base-Base interactions energy: -1504.543 where: short stacking energy: -615.178 Base-Backbone interact. energy: 1.928 local terms energy: -786.454335 where: bonds (distance) C4'-P energy: -163.172 bonds (distance) P-C4' energy: -167.008 flat angles C4'-P-C4' energy: -174.026 flat angles P-C4'-P energy: -102.751 tors. eta vs tors. theta energy: -179.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1664.547427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.547427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.547427 (E_RNA) where: Base-Base interactions energy: -999.237 where: short stacking energy: -458.007 Base-Backbone interact. energy: 2.464 local terms energy: -667.774630 where: bonds (distance) C4'-P energy: -155.667 bonds (distance) P-C4' energy: -170.768 flat angles C4'-P-C4' energy: -162.470 flat angles P-C4'-P energy: -88.284 tors. eta vs tors. theta energy: -90.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1133.852393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.852393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.852393 (E_RNA) where: Base-Base interactions energy: -598.851 where: short stacking energy: -293.567 Base-Backbone interact. energy: -0.786 local terms energy: -534.215710 where: bonds (distance) C4'-P energy: -159.518 bonds (distance) P-C4' energy: -149.129 flat angles C4'-P-C4' energy: -151.633 flat angles P-C4'-P energy: -84.172 tors. eta vs tors. theta energy: 10.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -871.137575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.137575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.137575 (E_RNA) where: Base-Base interactions energy: -376.537 where: short stacking energy: -242.992 Base-Backbone interact. energy: 2.239 local terms energy: -496.840125 where: bonds (distance) C4'-P energy: -112.442 bonds (distance) P-C4' energy: -173.856 flat angles C4'-P-C4' energy: -138.336 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: 12.603 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: 10, replica: 5 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -731.532545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.532545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.532545 (E_RNA) where: Base-Base interactions energy: -260.326 where: short stacking energy: -156.628 Base-Backbone interact. energy: 3.585 local terms energy: -474.791074 where: bonds (distance) C4'-P energy: -156.328 bonds (distance) P-C4' energy: -144.015 flat angles C4'-P-C4' energy: -140.372 flat angles P-C4'-P energy: -77.042 tors. eta vs tors. theta energy: 42.967 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: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3152.441158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.441158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.441158 (E_RNA) where: Base-Base interactions energy: -2190.454 where: short stacking energy: -904.862 Base-Backbone interact. energy: -4.061 local terms energy: -957.926074 where: bonds (distance) C4'-P energy: -179.769 bonds (distance) P-C4' energy: -183.039 flat angles C4'-P-C4' energy: -203.424 flat angles P-C4'-P energy: -131.887 tors. eta vs tors. theta energy: -259.807 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: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2872.160796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.160796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.160796 (E_RNA) where: Base-Base interactions energy: -1972.925 where: short stacking energy: -796.728 Base-Backbone interact. energy: -5.116 local terms energy: -894.119860 where: bonds (distance) C4'-P energy: -162.695 bonds (distance) P-C4' energy: -175.011 flat angles C4'-P-C4' energy: -191.954 flat angles P-C4'-P energy: -131.325 tors. eta vs tors. theta energy: -233.135 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: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2745.427850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.427850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.427850 (E_RNA) where: Base-Base interactions energy: -1867.013 where: short stacking energy: -767.479 Base-Backbone interact. energy: 3.687 local terms energy: -882.101268 where: bonds (distance) C4'-P energy: -170.745 bonds (distance) P-C4' energy: -169.084 flat angles C4'-P-C4' energy: -184.758 flat angles P-C4'-P energy: -114.493 tors. eta vs tors. theta energy: -243.022 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: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2522.476837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.476837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.476837 (E_RNA) where: Base-Base interactions energy: -1659.193 where: short stacking energy: -727.031 Base-Backbone interact. energy: -2.935 local terms energy: -860.348010 where: bonds (distance) C4'-P energy: -164.551 bonds (distance) P-C4' energy: -167.731 flat angles C4'-P-C4' energy: -178.926 flat angles P-C4'-P energy: -120.201 tors. eta vs tors. theta energy: -228.939 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: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2372.827407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.827407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.827407 (E_RNA) where: Base-Base interactions energy: -1582.097 where: short stacking energy: -668.670 Base-Backbone interact. energy: -0.611 local terms energy: -790.120264 where: bonds (distance) C4'-P energy: -159.498 bonds (distance) P-C4' energy: -152.396 flat angles C4'-P-C4' energy: -185.571 flat angles P-C4'-P energy: -113.436 tors. eta vs tors. theta energy: -179.219 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: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2283.175097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.175097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.175097 (E_RNA) where: Base-Base interactions energy: -1506.880 where: short stacking energy: -638.120 Base-Backbone interact. energy: 4.585 local terms energy: -780.880539 where: bonds (distance) C4'-P energy: -150.241 bonds (distance) P-C4' energy: -169.075 flat angles C4'-P-C4' energy: -178.421 flat angles P-C4'-P energy: -114.024 tors. eta vs tors. theta energy: -169.120 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: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1658.148328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.148328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.148328 (E_RNA) where: Base-Base interactions energy: -1006.574 where: short stacking energy: -474.484 Base-Backbone interact. energy: -3.060 local terms energy: -648.514994 where: bonds (distance) C4'-P energy: -133.947 bonds (distance) P-C4' energy: -176.273 flat angles C4'-P-C4' energy: -158.963 flat angles P-C4'-P energy: -83.520 tors. eta vs tors. theta energy: -95.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1125.084395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.084395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.084395 (E_RNA) where: Base-Base interactions energy: -580.086 where: short stacking energy: -295.484 Base-Backbone interact. energy: -4.889 local terms energy: -540.108789 where: bonds (distance) C4'-P energy: -152.330 bonds (distance) P-C4' energy: -147.915 flat angles C4'-P-C4' energy: -140.564 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -18.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -900.767015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.767015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.767015 (E_RNA) where: Base-Base interactions energy: -426.129 where: short stacking energy: -265.473 Base-Backbone interact. energy: 3.533 local terms energy: -478.170286 where: bonds (distance) C4'-P energy: -145.349 bonds (distance) P-C4' energy: -163.266 flat angles C4'-P-C4' energy: -117.540 flat angles P-C4'-P energy: -59.480 tors. eta vs tors. theta energy: 7.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -706.960211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.960211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.960211 (E_RNA) where: Base-Base interactions energy: -239.616 where: short stacking energy: -186.602 Base-Backbone interact. energy: 7.061 local terms energy: -474.404912 where: bonds (distance) C4'-P energy: -139.612 bonds (distance) P-C4' energy: -158.846 flat angles C4'-P-C4' energy: -136.484 flat angles P-C4'-P energy: -81.333 tors. eta vs tors. theta energy: 41.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3129.189919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.189919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.189919 (E_RNA) where: Base-Base interactions energy: -2160.522 where: short stacking energy: -866.539 Base-Backbone interact. energy: -4.967 local terms energy: -963.701310 where: bonds (distance) C4'-P energy: -187.939 bonds (distance) P-C4' energy: -182.979 flat angles C4'-P-C4' energy: -202.277 flat angles P-C4'-P energy: -112.852 tors. eta vs tors. theta energy: -277.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2886.222620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.222620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.222620 (E_RNA) where: Base-Base interactions energy: -1982.513 where: short stacking energy: -798.975 Base-Backbone interact. energy: -5.949 local terms energy: -897.761022 where: bonds (distance) C4'-P energy: -170.303 bonds (distance) P-C4' energy: -172.519 flat angles C4'-P-C4' energy: -183.032 flat angles P-C4'-P energy: -137.038 tors. eta vs tors. theta energy: -234.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2803.433147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.433147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.433147 (E_RNA) where: Base-Base interactions energy: -1915.462 where: short stacking energy: -802.754 Base-Backbone interact. energy: -3.374 local terms energy: -884.596792 where: bonds (distance) C4'-P energy: -158.785 bonds (distance) P-C4' energy: -180.614 flat angles C4'-P-C4' energy: -183.631 flat angles P-C4'-P energy: -123.975 tors. eta vs tors. theta energy: -237.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2516.170796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.170796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.170796 (E_RNA) where: Base-Base interactions energy: -1673.687 where: short stacking energy: -734.497 Base-Backbone interact. energy: 0.531 local terms energy: -843.015131 where: bonds (distance) C4'-P energy: -156.638 bonds (distance) P-C4' energy: -184.254 flat angles C4'-P-C4' energy: -189.136 flat angles P-C4'-P energy: -99.065 tors. eta vs tors. theta energy: -213.922 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: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2381.165301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.165301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.165301 (E_RNA) where: Base-Base interactions energy: -1573.317 where: short stacking energy: -668.748 Base-Backbone interact. energy: 3.362 local terms energy: -811.209683 where: bonds (distance) C4'-P energy: -153.877 bonds (distance) P-C4' energy: -164.538 flat angles C4'-P-C4' energy: -185.278 flat angles P-C4'-P energy: -113.827 tors. eta vs tors. theta energy: -193.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2260.685601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.685601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.685601 (E_RNA) where: Base-Base interactions energy: -1487.733 where: short stacking energy: -642.599 Base-Backbone interact. energy: -6.081 local terms energy: -766.872361 where: bonds (distance) C4'-P energy: -162.342 bonds (distance) P-C4' energy: -171.609 flat angles C4'-P-C4' energy: -158.149 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -171.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1635.288552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.288552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.288552 (E_RNA) where: Base-Base interactions energy: -995.072 where: short stacking energy: -466.187 Base-Backbone interact. energy: 0.482 local terms energy: -640.698522 where: bonds (distance) C4'-P energy: -154.987 bonds (distance) P-C4' energy: -166.398 flat angles C4'-P-C4' energy: -153.099 flat angles P-C4'-P energy: -73.280 tors. eta vs tors. theta energy: -92.934 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: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1130.568726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.568726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.568726 (E_RNA) where: Base-Base interactions energy: -587.176 where: short stacking energy: -306.484 Base-Backbone interact. energy: -2.171 local terms energy: -541.222321 where: bonds (distance) C4'-P energy: -136.468 bonds (distance) P-C4' energy: -170.130 flat angles C4'-P-C4' energy: -134.104 flat angles P-C4'-P energy: -84.798 tors. eta vs tors. theta energy: -15.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -916.749813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.749813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.749813 (E_RNA) where: Base-Base interactions energy: -421.630 where: short stacking energy: -257.110 Base-Backbone interact. energy: 2.598 local terms energy: -497.717570 where: bonds (distance) C4'-P energy: -121.871 bonds (distance) P-C4' energy: -164.543 flat angles C4'-P-C4' energy: -144.345 flat angles P-C4'-P energy: -70.504 tors. eta vs tors. theta energy: 3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -658.864822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.864822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.864822 (E_RNA) where: Base-Base interactions energy: -225.546 where: short stacking energy: -185.103 Base-Backbone interact. energy: 7.831 local terms energy: -441.149887 where: bonds (distance) C4'-P energy: -128.826 bonds (distance) P-C4' energy: -142.451 flat angles C4'-P-C4' energy: -153.016 flat angles P-C4'-P energy: -57.794 tors. eta vs tors. theta energy: 40.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3092.621883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.621883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.621883 (E_RNA) where: Base-Base interactions energy: -2125.328 where: short stacking energy: -882.394 Base-Backbone interact. energy: -4.048 local terms energy: -963.245457 where: bonds (distance) C4'-P energy: -175.975 bonds (distance) P-C4' energy: -176.916 flat angles C4'-P-C4' energy: -209.588 flat angles P-C4'-P energy: -137.292 tors. eta vs tors. theta energy: -263.475 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: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2895.197349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.197349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.197349 (E_RNA) where: Base-Base interactions energy: -1967.972 where: short stacking energy: -819.772 Base-Backbone interact. energy: -1.858 local terms energy: -925.367833 where: bonds (distance) C4'-P energy: -158.385 bonds (distance) P-C4' energy: -188.306 flat angles C4'-P-C4' energy: -197.640 flat angles P-C4'-P energy: -135.253 tors. eta vs tors. theta energy: -245.785 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: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2811.555312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.555312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.555312 (E_RNA) where: Base-Base interactions energy: -1882.266 where: short stacking energy: -816.988 Base-Backbone interact. energy: -4.083 local terms energy: -925.207130 where: bonds (distance) C4'-P energy: -176.313 bonds (distance) P-C4' energy: -182.674 flat angles C4'-P-C4' energy: -188.134 flat angles P-C4'-P energy: -136.569 tors. eta vs tors. theta energy: -241.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2530.695713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.695713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.695713 (E_RNA) where: Base-Base interactions energy: -1671.593 where: short stacking energy: -761.711 Base-Backbone interact. energy: 0.866 local terms energy: -859.968687 where: bonds (distance) C4'-P energy: -152.492 bonds (distance) P-C4' energy: -184.974 flat angles C4'-P-C4' energy: -182.368 flat angles P-C4'-P energy: -121.755 tors. eta vs tors. theta energy: -218.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2395.763510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.763510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.763510 (E_RNA) where: Base-Base interactions energy: -1547.468 where: short stacking energy: -648.215 Base-Backbone interact. energy: -5.258 local terms energy: -843.037599 where: bonds (distance) C4'-P energy: -160.474 bonds (distance) P-C4' energy: -184.888 flat angles C4'-P-C4' energy: -193.365 flat angles P-C4'-P energy: -116.439 tors. eta vs tors. theta energy: -187.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2264.850675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.850675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.850675 (E_RNA) where: Base-Base interactions energy: -1509.074 where: short stacking energy: -639.519 Base-Backbone interact. energy: -5.725 local terms energy: -750.051989 where: bonds (distance) C4'-P energy: -151.296 bonds (distance) P-C4' energy: -157.447 flat angles C4'-P-C4' energy: -173.878 flat angles P-C4'-P energy: -111.656 tors. eta vs tors. theta energy: -155.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1683.743896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.743896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.743896 (E_RNA) where: Base-Base interactions energy: -1026.771 where: short stacking energy: -494.429 Base-Backbone interact. energy: 7.182 local terms energy: -664.155409 where: bonds (distance) C4'-P energy: -150.154 bonds (distance) P-C4' energy: -153.541 flat angles C4'-P-C4' energy: -154.031 flat angles P-C4'-P energy: -99.220 tors. eta vs tors. theta energy: -107.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1173.491419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.491419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.491419 (E_RNA) where: Base-Base interactions energy: -627.339 where: short stacking energy: -324.056 Base-Backbone interact. energy: -0.522 local terms energy: -545.630439 where: bonds (distance) C4'-P energy: -144.136 bonds (distance) P-C4' energy: -151.366 flat angles C4'-P-C4' energy: -150.096 flat angles P-C4'-P energy: -75.061 tors. eta vs tors. theta energy: -24.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -863.653035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.653035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.653035 (E_RNA) where: Base-Base interactions energy: -376.812 where: short stacking energy: -223.961 Base-Backbone interact. energy: 4.103 local terms energy: -490.944279 where: bonds (distance) C4'-P energy: -136.035 bonds (distance) P-C4' energy: -166.043 flat angles C4'-P-C4' energy: -136.681 flat angles P-C4'-P energy: -75.902 tors. eta vs tors. theta energy: 23.716 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: 10, replica: 5 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -650.306721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.306721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.306721 (E_RNA) where: Base-Base interactions energy: -193.658 where: short stacking energy: -170.339 Base-Backbone interact. energy: 3.537 local terms energy: -460.185491 where: bonds (distance) C4'-P energy: -146.548 bonds (distance) P-C4' energy: -161.528 flat angles C4'-P-C4' energy: -139.234 flat angles P-C4'-P energy: -54.149 tors. eta vs tors. theta energy: 41.273 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: 285 Temperature: 0.900000 Total energy: -3116.160914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.160914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.160914 (E_RNA) where: Base-Base interactions energy: -2171.256 where: short stacking energy: -882.776 Base-Backbone interact. energy: -0.346 local terms energy: -944.559234 where: bonds (distance) C4'-P energy: -162.533 bonds (distance) P-C4' energy: -187.351 flat angles C4'-P-C4' energy: -199.088 flat angles P-C4'-P energy: -128.969 tors. eta vs tors. theta energy: -266.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2920.486411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.486411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.486411 (E_RNA) where: Base-Base interactions energy: -1999.822 where: short stacking energy: -785.120 Base-Backbone interact. energy: -3.647 local terms energy: -917.016962 where: bonds (distance) C4'-P energy: -181.442 bonds (distance) P-C4' energy: -175.285 flat angles C4'-P-C4' energy: -187.181 flat angles P-C4'-P energy: -134.432 tors. eta vs tors. theta energy: -238.677 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: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2808.819388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.819388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.819388 (E_RNA) where: Base-Base interactions energy: -1883.744 where: short stacking energy: -783.135 Base-Backbone interact. energy: -0.854 local terms energy: -924.221830 where: bonds (distance) C4'-P energy: -168.535 bonds (distance) P-C4' energy: -181.676 flat angles C4'-P-C4' energy: -196.510 flat angles P-C4'-P energy: -139.761 tors. eta vs tors. theta energy: -237.740 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: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2592.111589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.111589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.111589 (E_RNA) where: Base-Base interactions energy: -1709.118 where: short stacking energy: -742.619 Base-Backbone interact. energy: -4.012 local terms energy: -878.981430 where: bonds (distance) C4'-P energy: -141.900 bonds (distance) P-C4' energy: -183.221 flat angles C4'-P-C4' energy: -185.680 flat angles P-C4'-P energy: -140.375 tors. eta vs tors. theta energy: -227.806 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: 5, replica: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2360.982206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.982206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.982206 (E_RNA) where: Base-Base interactions energy: -1581.911 where: short stacking energy: -710.707 Base-Backbone interact. energy: 1.081 local terms energy: -780.152051 where: bonds (distance) C4'-P energy: -167.706 bonds (distance) P-C4' energy: -158.182 flat angles C4'-P-C4' energy: -158.388 flat angles P-C4'-P energy: -109.286 tors. eta vs tors. theta energy: -186.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2238.261532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.261532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.261532 (E_RNA) where: Base-Base interactions energy: -1461.090 where: short stacking energy: -615.941 Base-Backbone interact. energy: -3.529 local terms energy: -773.641990 where: bonds (distance) C4'-P energy: -162.137 bonds (distance) P-C4' energy: -164.941 flat angles C4'-P-C4' energy: -186.700 flat angles P-C4'-P energy: -97.762 tors. eta vs tors. theta energy: -162.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1670.140579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.140579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.140579 (E_RNA) where: Base-Base interactions energy: -1034.453 where: short stacking energy: -459.405 Base-Backbone interact. energy: 0.865 local terms energy: -636.552772 where: bonds (distance) C4'-P energy: -133.849 bonds (distance) P-C4' energy: -156.664 flat angles C4'-P-C4' energy: -163.804 flat angles P-C4'-P energy: -98.922 tors. eta vs tors. theta energy: -83.313 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: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1168.746810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.746810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.746810 (E_RNA) where: Base-Base interactions energy: -618.567 where: short stacking energy: -315.846 Base-Backbone interact. energy: -0.929 local terms energy: -549.251010 where: bonds (distance) C4'-P energy: -135.961 bonds (distance) P-C4' energy: -145.150 flat angles C4'-P-C4' energy: -151.780 flat angles P-C4'-P energy: -86.359 tors. eta vs tors. theta energy: -30.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -894.168489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.168489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.168489 (E_RNA) where: Base-Base interactions energy: -399.421 where: short stacking energy: -228.124 Base-Backbone interact. energy: 12.590 local terms energy: -507.336541 where: bonds (distance) C4'-P energy: -143.180 bonds (distance) P-C4' energy: -152.758 flat angles C4'-P-C4' energy: -120.320 flat angles P-C4'-P energy: -99.821 tors. eta vs tors. theta energy: 8.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -650.468940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.468940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.468940 (E_RNA) where: Base-Base interactions energy: -224.409 where: short stacking energy: -183.045 Base-Backbone interact. energy: 9.627 local terms energy: -435.686777 where: bonds (distance) C4'-P energy: -144.438 bonds (distance) P-C4' energy: -150.975 flat angles C4'-P-C4' energy: -115.189 flat angles P-C4'-P energy: -72.499 tors. eta vs tors. theta energy: 47.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3082.951397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.951397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.951397 (E_RNA) where: Base-Base interactions energy: -2133.220 where: short stacking energy: -889.020 Base-Backbone interact. energy: -1.445 local terms energy: -948.286159 where: bonds (distance) C4'-P energy: -181.781 bonds (distance) P-C4' energy: -180.208 flat angles C4'-P-C4' energy: -209.804 flat angles P-C4'-P energy: -121.417 tors. eta vs tors. theta energy: -255.077 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: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2925.279176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.279176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.279176 (E_RNA) where: Base-Base interactions energy: -1997.244 where: short stacking energy: -810.426 Base-Backbone interact. energy: -2.972 local terms energy: -925.063350 where: bonds (distance) C4'-P energy: -173.808 bonds (distance) P-C4' energy: -179.935 flat angles C4'-P-C4' energy: -198.425 flat angles P-C4'-P energy: -136.990 tors. eta vs tors. theta energy: -235.906 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: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2855.200651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.200651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.200651 (E_RNA) where: Base-Base interactions energy: -1981.172 where: short stacking energy: -845.353 Base-Backbone interact. energy: -3.810 local terms energy: -870.217955 where: bonds (distance) C4'-P energy: -165.791 bonds (distance) P-C4' energy: -163.364 flat angles C4'-P-C4' energy: -181.865 flat angles P-C4'-P energy: -108.217 tors. eta vs tors. theta energy: -250.981 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: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2562.472654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.472654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.472654 (E_RNA) where: Base-Base interactions energy: -1695.767 where: short stacking energy: -745.563 Base-Backbone interact. energy: -2.659 local terms energy: -864.046368 where: bonds (distance) C4'-P energy: -151.725 bonds (distance) P-C4' energy: -162.600 flat angles C4'-P-C4' energy: -186.822 flat angles P-C4'-P energy: -129.449 tors. eta vs tors. theta energy: -233.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2421.510937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.510937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.510937 (E_RNA) where: Base-Base interactions energy: -1639.249 where: short stacking energy: -664.347 Base-Backbone interact. energy: -0.131 local terms energy: -782.131103 where: bonds (distance) C4'-P energy: -175.527 bonds (distance) P-C4' energy: -150.420 flat angles C4'-P-C4' energy: -170.437 flat angles P-C4'-P energy: -101.657 tors. eta vs tors. theta energy: -184.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2209.991224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.991224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.991224 (E_RNA) where: Base-Base interactions energy: -1468.821 where: short stacking energy: -615.932 Base-Backbone interact. energy: 0.624 local terms energy: -741.794689 where: bonds (distance) C4'-P energy: -159.964 bonds (distance) P-C4' energy: -145.219 flat angles C4'-P-C4' energy: -179.691 flat angles P-C4'-P energy: -94.950 tors. eta vs tors. theta energy: -161.970 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: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1701.728913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.728913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.728913 (E_RNA) where: Base-Base interactions energy: -1036.770 where: short stacking energy: -504.088 Base-Backbone interact. energy: 2.454 local terms energy: -667.412247 where: bonds (distance) C4'-P energy: -154.869 bonds (distance) P-C4' energy: -131.944 flat angles C4'-P-C4' energy: -165.440 flat angles P-C4'-P energy: -116.887 tors. eta vs tors. theta energy: -98.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1120.560071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.560071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.560071 (E_RNA) where: Base-Base interactions energy: -608.787 where: short stacking energy: -296.526 Base-Backbone interact. energy: -4.587 local terms energy: -507.185805 where: bonds (distance) C4'-P energy: -164.937 bonds (distance) P-C4' energy: -142.169 flat angles C4'-P-C4' energy: -130.455 flat angles P-C4'-P energy: -78.553 tors. eta vs tors. theta energy: 8.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -887.021726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.021726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.021726 (E_RNA) where: Base-Base interactions energy: -396.864 where: short stacking energy: -234.259 Base-Backbone interact. energy: 8.297 local terms energy: -498.455482 where: bonds (distance) C4'-P energy: -138.010 bonds (distance) P-C4' energy: -164.108 flat angles C4'-P-C4' energy: -126.180 flat angles P-C4'-P energy: -75.738 tors. eta vs tors. theta energy: 5.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -652.628895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.628895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.628895 (E_RNA) where: Base-Base interactions energy: -220.215 where: short stacking energy: -144.321 Base-Backbone interact. energy: -1.972 local terms energy: -430.442441 where: bonds (distance) C4'-P energy: -120.986 bonds (distance) P-C4' energy: -149.259 flat angles C4'-P-C4' energy: -127.412 flat angles P-C4'-P energy: -89.882 tors. eta vs tors. theta energy: 57.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3092.453708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.453708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.453708 (E_RNA) where: Base-Base interactions energy: -2146.813 where: short stacking energy: -848.574 Base-Backbone interact. energy: -3.790 local terms energy: -941.850580 where: bonds (distance) C4'-P energy: -179.027 bonds (distance) P-C4' energy: -186.695 flat angles C4'-P-C4' energy: -203.938 flat angles P-C4'-P energy: -116.544 tors. eta vs tors. theta energy: -255.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2908.138055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.138055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.138055 (E_RNA) where: Base-Base interactions energy: -2016.958 where: short stacking energy: -809.012 Base-Backbone interact. energy: 1.886 local terms energy: -893.065422 where: bonds (distance) C4'-P energy: -175.217 bonds (distance) P-C4' energy: -170.446 flat angles C4'-P-C4' energy: -197.559 flat angles P-C4'-P energy: -111.096 tors. eta vs tors. theta energy: -238.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2849.488477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.488477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.488477 (E_RNA) where: Base-Base interactions energy: -1924.407 where: short stacking energy: -809.508 Base-Backbone interact. energy: -0.971 local terms energy: -924.109810 where: bonds (distance) C4'-P energy: -166.918 bonds (distance) P-C4' energy: -183.742 flat angles C4'-P-C4' energy: -203.399 flat angles P-C4'-P energy: -130.163 tors. eta vs tors. theta energy: -239.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2604.369843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.369843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.369843 (E_RNA) where: Base-Base interactions energy: -1715.531 where: short stacking energy: -699.953 Base-Backbone interact. energy: -4.417 local terms energy: -884.421770 where: bonds (distance) C4'-P energy: -167.183 bonds (distance) P-C4' energy: -172.136 flat angles C4'-P-C4' energy: -191.824 flat angles P-C4'-P energy: -127.975 tors. eta vs tors. theta energy: -225.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2433.985169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.985169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.985169 (E_RNA) where: Base-Base interactions energy: -1644.000 where: short stacking energy: -686.421 Base-Backbone interact. energy: -5.500 local terms energy: -784.485367 where: bonds (distance) C4'-P energy: -147.180 bonds (distance) P-C4' energy: -166.496 flat angles C4'-P-C4' energy: -170.254 flat angles P-C4'-P energy: -114.797 tors. eta vs tors. theta energy: -185.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2286.061247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.061247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.061247 (E_RNA) where: Base-Base interactions energy: -1491.559 where: short stacking energy: -650.954 Base-Backbone interact. energy: -2.897 local terms energy: -791.604383 where: bonds (distance) C4'-P energy: -148.426 bonds (distance) P-C4' energy: -168.566 flat angles C4'-P-C4' energy: -176.097 flat angles P-C4'-P energy: -108.270 tors. eta vs tors. theta energy: -190.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1672.463029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.463029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.463029 (E_RNA) where: Base-Base interactions energy: -1023.462 where: short stacking energy: -470.401 Base-Backbone interact. energy: -1.324 local terms energy: -647.676637 where: bonds (distance) C4'-P energy: -162.460 bonds (distance) P-C4' energy: -173.078 flat angles C4'-P-C4' energy: -149.956 flat angles P-C4'-P energy: -76.700 tors. eta vs tors. theta energy: -85.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1074.405908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.405908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.405908 (E_RNA) where: Base-Base interactions energy: -587.821 where: short stacking energy: -329.277 Base-Backbone interact. energy: -0.213 local terms energy: -486.371405 where: bonds (distance) C4'-P energy: -123.248 bonds (distance) P-C4' energy: -156.755 flat angles C4'-P-C4' energy: -112.096 flat angles P-C4'-P energy: -74.464 tors. eta vs tors. theta energy: -19.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -888.209621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.209621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.209621 (E_RNA) where: Base-Base interactions energy: -390.426 where: short stacking energy: -232.112 Base-Backbone interact. energy: -3.049 local terms energy: -494.734153 where: bonds (distance) C4'-P energy: -152.967 bonds (distance) P-C4' energy: -142.100 flat angles C4'-P-C4' energy: -141.470 flat angles P-C4'-P energy: -75.958 tors. eta vs tors. theta energy: 17.761 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: 5 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -633.516130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.516130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.516130 (E_RNA) where: Base-Base interactions energy: -225.121 where: short stacking energy: -169.691 Base-Backbone interact. energy: 5.359 local terms energy: -413.754099 where: bonds (distance) C4'-P energy: -148.603 bonds (distance) P-C4' energy: -155.680 flat angles C4'-P-C4' energy: -118.001 flat angles P-C4'-P energy: -45.254 tors. eta vs tors. theta energy: 53.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3109.789342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.789342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.789342 (E_RNA) where: Base-Base interactions energy: -2150.321 where: short stacking energy: -839.302 Base-Backbone interact. energy: -4.972 local terms energy: -954.496097 where: bonds (distance) C4'-P energy: -172.369 bonds (distance) P-C4' energy: -183.934 flat angles C4'-P-C4' energy: -213.308 flat angles P-C4'-P energy: -131.926 tors. eta vs tors. theta energy: -252.959 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: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2965.262652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.262652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.262652 (E_RNA) where: Base-Base interactions energy: -2028.551 where: short stacking energy: -811.951 Base-Backbone interact. energy: -1.526 local terms energy: -935.186327 where: bonds (distance) C4'-P energy: -182.665 bonds (distance) P-C4' energy: -164.918 flat angles C4'-P-C4' energy: -205.481 flat angles P-C4'-P energy: -136.149 tors. eta vs tors. theta energy: -245.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2854.764999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.764999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.764999 (E_RNA) where: Base-Base interactions energy: -1959.773 where: short stacking energy: -810.555 Base-Backbone interact. energy: 2.192 local terms energy: -897.183755 where: bonds (distance) C4'-P energy: -170.871 bonds (distance) P-C4' energy: -177.005 flat angles C4'-P-C4' energy: -197.842 flat angles P-C4'-P energy: -110.189 tors. eta vs tors. theta energy: -241.276 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: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2527.011226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.011226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.011226 (E_RNA) where: Base-Base interactions energy: -1677.737 where: short stacking energy: -710.732 Base-Backbone interact. energy: -1.813 local terms energy: -847.460685 where: bonds (distance) C4'-P energy: -174.861 bonds (distance) P-C4' energy: -161.424 flat angles C4'-P-C4' energy: -195.956 flat angles P-C4'-P energy: -119.335 tors. eta vs tors. theta energy: -195.885 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: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2357.082861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.082861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.082861 (E_RNA) where: Base-Base interactions energy: -1567.486 where: short stacking energy: -636.397 Base-Backbone interact. energy: -1.099 local terms energy: -788.497099 where: bonds (distance) C4'-P energy: -176.109 bonds (distance) P-C4' energy: -163.450 flat angles C4'-P-C4' energy: -176.603 flat angles P-C4'-P energy: -111.388 tors. eta vs tors. theta energy: -160.946 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: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2207.221752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.221752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.221752 (E_RNA) where: Base-Base interactions energy: -1432.156 where: short stacking energy: -650.933 Base-Backbone interact. energy: -3.847 local terms energy: -771.219095 where: bonds (distance) C4'-P energy: -140.487 bonds (distance) P-C4' energy: -164.514 flat angles C4'-P-C4' energy: -189.350 flat angles P-C4'-P energy: -100.831 tors. eta vs tors. theta energy: -176.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1683.496586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.496586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.496586 (E_RNA) where: Base-Base interactions energy: -1023.645 where: short stacking energy: -461.267 Base-Backbone interact. energy: 0.579 local terms energy: -660.431144 where: bonds (distance) C4'-P energy: -146.153 bonds (distance) P-C4' energy: -164.163 flat angles C4'-P-C4' energy: -170.403 flat angles P-C4'-P energy: -99.824 tors. eta vs tors. theta energy: -79.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1151.528164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.528164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.528164 (E_RNA) where: Base-Base interactions energy: -586.432 where: short stacking energy: -318.115 Base-Backbone interact. energy: -2.577 local terms energy: -562.518860 where: bonds (distance) C4'-P energy: -147.141 bonds (distance) P-C4' energy: -156.573 flat angles C4'-P-C4' energy: -136.652 flat angles P-C4'-P energy: -97.322 tors. eta vs tors. theta energy: -24.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -920.519192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.519192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.519192 (E_RNA) where: Base-Base interactions energy: -408.167 where: short stacking energy: -252.984 Base-Backbone interact. energy: 3.445 local terms energy: -515.797128 where: bonds (distance) C4'-P energy: -136.436 bonds (distance) P-C4' energy: -161.458 flat angles C4'-P-C4' energy: -143.023 flat angles P-C4'-P energy: -68.585 tors. eta vs tors. theta energy: -6.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -622.927147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.927147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.927147 (E_RNA) where: Base-Base interactions energy: -160.820 where: short stacking energy: -142.451 Base-Backbone interact. energy: 2.538 local terms energy: -464.644245 where: bonds (distance) C4'-P energy: -135.460 bonds (distance) P-C4' energy: -152.041 flat angles C4'-P-C4' energy: -150.102 flat angles P-C4'-P energy: -67.001 tors. eta vs tors. theta energy: 39.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3110.357343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.357343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.357343 (E_RNA) where: Base-Base interactions energy: -2142.079 where: short stacking energy: -856.207 Base-Backbone interact. energy: 0.760 local terms energy: -969.037736 where: bonds (distance) C4'-P energy: -183.804 bonds (distance) P-C4' energy: -185.795 flat angles C4'-P-C4' energy: -198.738 flat angles P-C4'-P energy: -143.719 tors. eta vs tors. theta energy: -256.982 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: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2945.766140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.766140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.766140 (E_RNA) where: Base-Base interactions energy: -2037.832 where: short stacking energy: -838.226 Base-Backbone interact. energy: -3.462 local terms energy: -904.472272 where: bonds (distance) C4'-P energy: -154.406 bonds (distance) P-C4' energy: -165.707 flat angles C4'-P-C4' energy: -196.097 flat angles P-C4'-P energy: -135.558 tors. eta vs tors. theta energy: -252.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2873.931408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.931408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.931408 (E_RNA) where: Base-Base interactions energy: -1937.852 where: short stacking energy: -802.266 Base-Backbone interact. energy: -2.127 local terms energy: -933.951584 where: bonds (distance) C4'-P energy: -176.170 bonds (distance) P-C4' energy: -193.191 flat angles C4'-P-C4' energy: -180.138 flat angles P-C4'-P energy: -133.012 tors. eta vs tors. theta energy: -251.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2546.775163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.775163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.775163 (E_RNA) where: Base-Base interactions energy: -1679.232 where: short stacking energy: -708.094 Base-Backbone interact. energy: -1.408 local terms energy: -866.134520 where: bonds (distance) C4'-P energy: -153.026 bonds (distance) P-C4' energy: -172.239 flat angles C4'-P-C4' energy: -193.992 flat angles P-C4'-P energy: -132.216 tors. eta vs tors. theta energy: -214.663 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: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2300.323328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.323328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.323328 (E_RNA) where: Base-Base interactions energy: -1518.401 where: short stacking energy: -659.438 Base-Backbone interact. energy: -2.574 local terms energy: -779.348655 where: bonds (distance) C4'-P energy: -148.011 bonds (distance) P-C4' energy: -158.300 flat angles C4'-P-C4' energy: -166.673 flat angles P-C4'-P energy: -124.841 tors. eta vs tors. theta energy: -181.523 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: 6, replica: 10 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2188.988553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.988553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.988553 (E_RNA) where: Base-Base interactions energy: -1459.927 where: short stacking energy: -623.572 Base-Backbone interact. energy: -4.467 local terms energy: -724.594277 where: bonds (distance) C4'-P energy: -150.639 bonds (distance) P-C4' energy: -151.645 flat angles C4'-P-C4' energy: -160.121 flat angles P-C4'-P energy: -100.903 tors. eta vs tors. theta energy: -161.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1664.906297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.906297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.906297 (E_RNA) where: Base-Base interactions energy: -1015.007 where: short stacking energy: -453.621 Base-Backbone interact. energy: -2.988 local terms energy: -646.912028 where: bonds (distance) C4'-P energy: -143.340 bonds (distance) P-C4' energy: -156.846 flat angles C4'-P-C4' energy: -152.384 flat angles P-C4'-P energy: -97.772 tors. eta vs tors. theta energy: -96.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1110.624561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.624561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.624561 (E_RNA) where: Base-Base interactions energy: -596.386 where: short stacking energy: -324.046 Base-Backbone interact. energy: 4.939 local terms energy: -519.177590 where: bonds (distance) C4'-P energy: -136.130 bonds (distance) P-C4' energy: -132.757 flat angles C4'-P-C4' energy: -154.392 flat angles P-C4'-P energy: -79.322 tors. eta vs tors. theta energy: -16.576 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: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -897.467631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.467631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.467631 (E_RNA) where: Base-Base interactions energy: -421.416 where: short stacking energy: -229.141 Base-Backbone interact. energy: -0.192 local terms energy: -475.860008 where: bonds (distance) C4'-P energy: -147.334 bonds (distance) P-C4' energy: -142.485 flat angles C4'-P-C4' energy: -127.774 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: 2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -668.912670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.912670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.912670 (E_RNA) where: Base-Base interactions energy: -228.468 where: short stacking energy: -173.109 Base-Backbone interact. energy: -3.169 local terms energy: -437.275838 where: bonds (distance) C4'-P energy: -158.205 bonds (distance) P-C4' energy: -142.403 flat angles C4'-P-C4' energy: -106.776 flat angles P-C4'-P energy: -41.902 tors. eta vs tors. theta energy: 12.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3137.284112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.284112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.284112 (E_RNA) where: Base-Base interactions energy: -2169.369 where: short stacking energy: -877.472 Base-Backbone interact. energy: -3.936 local terms energy: -963.978626 where: bonds (distance) C4'-P energy: -180.009 bonds (distance) P-C4' energy: -181.211 flat angles C4'-P-C4' energy: -205.369 flat angles P-C4'-P energy: -138.070 tors. eta vs tors. theta energy: -259.319 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: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2919.969586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.969586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.969586 (E_RNA) where: Base-Base interactions energy: -2009.307 where: short stacking energy: -799.136 Base-Backbone interact. energy: -6.423 local terms energy: -904.239103 where: bonds (distance) C4'-P energy: -177.347 bonds (distance) P-C4' energy: -169.050 flat angles C4'-P-C4' energy: -191.310 flat angles P-C4'-P energy: -133.553 tors. eta vs tors. theta energy: -232.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2918.832660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.832660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.832660 (E_RNA) where: Base-Base interactions energy: -2001.669 where: short stacking energy: -847.190 Base-Backbone interact. energy: -5.542 local terms energy: -911.622009 where: bonds (distance) C4'-P energy: -174.818 bonds (distance) P-C4' energy: -188.283 flat angles C4'-P-C4' energy: -190.463 flat angles P-C4'-P energy: -109.353 tors. eta vs tors. theta energy: -248.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2439.397273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.397273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.397273 (E_RNA) where: Base-Base interactions energy: -1591.331 where: short stacking energy: -679.250 Base-Backbone interact. energy: -5.300 local terms energy: -842.766374 where: bonds (distance) C4'-P energy: -149.759 bonds (distance) P-C4' energy: -157.101 flat angles C4'-P-C4' energy: -205.171 flat angles P-C4'-P energy: -120.307 tors. eta vs tors. theta energy: -210.428 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: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2353.228446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.228446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.228446 (E_RNA) where: Base-Base interactions energy: -1559.786 where: short stacking energy: -679.009 Base-Backbone interact. energy: -3.716 local terms energy: -789.726629 where: bonds (distance) C4'-P energy: -147.179 bonds (distance) P-C4' energy: -145.844 flat angles C4'-P-C4' energy: -167.076 flat angles P-C4'-P energy: -122.618 tors. eta vs tors. theta energy: -207.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2192.348404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.348404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.348404 (E_RNA) where: Base-Base interactions energy: -1452.055 where: short stacking energy: -607.370 Base-Backbone interact. energy: 0.233 local terms energy: -740.526914 where: bonds (distance) C4'-P energy: -153.236 bonds (distance) P-C4' energy: -163.405 flat angles C4'-P-C4' energy: -170.476 flat angles P-C4'-P energy: -117.087 tors. eta vs tors. theta energy: -136.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1676.728115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.728115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.728115 (E_RNA) where: Base-Base interactions energy: -1021.319 where: short stacking energy: -489.687 Base-Backbone interact. energy: -1.461 local terms energy: -653.948098 where: bonds (distance) C4'-P energy: -152.571 bonds (distance) P-C4' energy: -154.404 flat angles C4'-P-C4' energy: -160.263 flat angles P-C4'-P energy: -90.760 tors. eta vs tors. theta energy: -95.951 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: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1110.858938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.858938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.858938 (E_RNA) where: Base-Base interactions energy: -584.156 where: short stacking energy: -326.253 Base-Backbone interact. energy: -0.433 local terms energy: -526.269468 where: bonds (distance) C4'-P energy: -137.850 bonds (distance) P-C4' energy: -159.920 flat angles C4'-P-C4' energy: -132.916 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: -20.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -920.044514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.044514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.044514 (E_RNA) where: Base-Base interactions energy: -441.444 where: short stacking energy: -258.627 Base-Backbone interact. energy: 0.361 local terms energy: -478.962036 where: bonds (distance) C4'-P energy: -147.860 bonds (distance) P-C4' energy: -142.333 flat angles C4'-P-C4' energy: -132.337 flat angles P-C4'-P energy: -63.974 tors. eta vs tors. theta energy: 7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -617.234033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.234033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.234033 (E_RNA) where: Base-Base interactions energy: -194.721 where: short stacking energy: -148.639 Base-Backbone interact. energy: 2.151 local terms energy: -424.664126 where: bonds (distance) C4'-P energy: -140.370 bonds (distance) P-C4' energy: -143.788 flat angles C4'-P-C4' energy: -130.650 flat angles P-C4'-P energy: -62.787 tors. eta vs tors. theta energy: 52.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3126.879470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.879470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.879470 (E_RNA) where: Base-Base interactions energy: -2157.161 where: short stacking energy: -896.482 Base-Backbone interact. energy: 2.285 local terms energy: -972.003874 where: bonds (distance) C4'-P energy: -185.201 bonds (distance) P-C4' energy: -172.460 flat angles C4'-P-C4' energy: -219.187 flat angles P-C4'-P energy: -129.226 tors. eta vs tors. theta energy: -265.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2905.833001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.833001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.833001 (E_RNA) where: Base-Base interactions energy: -1996.486 where: short stacking energy: -799.056 Base-Backbone interact. energy: -0.674 local terms energy: -908.673253 where: bonds (distance) C4'-P energy: -175.086 bonds (distance) P-C4' energy: -169.708 flat angles C4'-P-C4' energy: -201.780 flat angles P-C4'-P energy: -126.049 tors. eta vs tors. theta energy: -236.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2884.616627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.616627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.616627 (E_RNA) where: Base-Base interactions energy: -1950.385 where: short stacking energy: -804.832 Base-Backbone interact. energy: -6.537 local terms energy: -927.694335 where: bonds (distance) C4'-P energy: -178.515 bonds (distance) P-C4' energy: -184.989 flat angles C4'-P-C4' energy: -193.984 flat angles P-C4'-P energy: -127.024 tors. eta vs tors. theta energy: -243.183 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: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2442.686777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.686777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.686777 (E_RNA) where: Base-Base interactions energy: -1603.127 where: short stacking energy: -701.581 Base-Backbone interact. energy: -0.371 local terms energy: -839.189123 where: bonds (distance) C4'-P energy: -181.066 bonds (distance) P-C4' energy: -154.471 flat angles C4'-P-C4' energy: -193.154 flat angles P-C4'-P energy: -117.100 tors. eta vs tors. theta energy: -193.398 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: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2308.240026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.240026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.240026 (E_RNA) where: Base-Base interactions energy: -1561.157 where: short stacking energy: -659.510 Base-Backbone interact. energy: -3.017 local terms energy: -744.066049 where: bonds (distance) C4'-P energy: -138.948 bonds (distance) P-C4' energy: -159.294 flat angles C4'-P-C4' energy: -162.265 flat angles P-C4'-P energy: -106.606 tors. eta vs tors. theta energy: -176.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2187.056651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.056651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.056651 (E_RNA) where: Base-Base interactions energy: -1479.493 where: short stacking energy: -595.975 Base-Backbone interact. energy: -1.917 local terms energy: -705.646520 where: bonds (distance) C4'-P energy: -139.066 bonds (distance) P-C4' energy: -151.726 flat angles C4'-P-C4' energy: -177.002 flat angles P-C4'-P energy: -102.388 tors. eta vs tors. theta energy: -135.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1702.729361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.729361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.729361 (E_RNA) where: Base-Base interactions energy: -1053.990 where: short stacking energy: -496.762 Base-Backbone interact. energy: 0.287 local terms energy: -649.026266 where: bonds (distance) C4'-P energy: -148.619 bonds (distance) P-C4' energy: -133.256 flat angles C4'-P-C4' energy: -161.475 flat angles P-C4'-P energy: -97.745 tors. eta vs tors. theta energy: -107.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1119.428136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.428136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.428136 (E_RNA) where: Base-Base interactions energy: -600.653 where: short stacking energy: -321.635 Base-Backbone interact. energy: -0.764 local terms energy: -518.010864 where: bonds (distance) C4'-P energy: -133.332 bonds (distance) P-C4' energy: -154.814 flat angles C4'-P-C4' energy: -133.790 flat angles P-C4'-P energy: -83.695 tors. eta vs tors. theta energy: -12.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -891.767329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.767329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.767329 (E_RNA) where: Base-Base interactions energy: -384.961 where: short stacking energy: -237.895 Base-Backbone interact. energy: -0.591 local terms energy: -506.215389 where: bonds (distance) C4'-P energy: -154.584 bonds (distance) P-C4' energy: -168.734 flat angles C4'-P-C4' energy: -103.943 flat angles P-C4'-P energy: -77.818 tors. eta vs tors. theta energy: -1.136 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: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -665.281314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.281314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.281314 (E_RNA) where: Base-Base interactions energy: -238.062 where: short stacking energy: -178.949 Base-Backbone interact. energy: 5.872 local terms energy: -433.091276 where: bonds (distance) C4'-P energy: -131.102 bonds (distance) P-C4' energy: -179.164 flat angles C4'-P-C4' energy: -109.734 flat angles P-C4'-P energy: -62.091 tors. eta vs tors. theta energy: 49.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3102.630215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.630215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.630215 (E_RNA) where: Base-Base interactions energy: -2181.840 where: short stacking energy: -886.206 Base-Backbone interact. energy: -2.627 local terms energy: -918.163188 where: bonds (distance) C4'-P energy: -165.213 bonds (distance) P-C4' energy: -180.353 flat angles C4'-P-C4' energy: -193.468 flat angles P-C4'-P energy: -129.113 tors. eta vs tors. theta energy: -250.016 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: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2922.438274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.438274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.438274 (E_RNA) where: Base-Base interactions energy: -1986.797 where: short stacking energy: -796.956 Base-Backbone interact. energy: -0.969 local terms energy: -934.671822 where: bonds (distance) C4'-P energy: -165.887 bonds (distance) P-C4' energy: -190.652 flat angles C4'-P-C4' energy: -205.629 flat angles P-C4'-P energy: -130.214 tors. eta vs tors. theta energy: -242.291 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: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2860.287955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.287955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.287955 (E_RNA) where: Base-Base interactions energy: -1957.255 where: short stacking energy: -813.345 Base-Backbone interact. energy: -4.242 local terms energy: -898.791023 where: bonds (distance) C4'-P energy: -174.216 bonds (distance) P-C4' energy: -172.592 flat angles C4'-P-C4' energy: -197.404 flat angles P-C4'-P energy: -112.863 tors. eta vs tors. theta energy: -241.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2495.819214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.819214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.819214 (E_RNA) where: Base-Base interactions energy: -1629.949 where: short stacking energy: -736.116 Base-Backbone interact. energy: -1.887 local terms energy: -863.983611 where: bonds (distance) C4'-P energy: -164.468 bonds (distance) P-C4' energy: -169.608 flat angles C4'-P-C4' energy: -195.153 flat angles P-C4'-P energy: -122.013 tors. eta vs tors. theta energy: -212.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2288.525488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.525488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.525488 (E_RNA) where: Base-Base interactions energy: -1514.497 where: short stacking energy: -646.417 Base-Backbone interact. energy: 0.888 local terms energy: -774.916217 where: bonds (distance) C4'-P energy: -146.406 bonds (distance) P-C4' energy: -160.156 flat angles C4'-P-C4' energy: -186.471 flat angles P-C4'-P energy: -98.254 tors. eta vs tors. theta energy: -183.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2095.680105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.680105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.680105 (E_RNA) where: Base-Base interactions energy: -1373.912 where: short stacking energy: -580.244 Base-Backbone interact. energy: 9.289 local terms energy: -731.057481 where: bonds (distance) C4'-P energy: -139.311 bonds (distance) P-C4' energy: -169.191 flat angles C4'-P-C4' energy: -175.255 flat angles P-C4'-P energy: -102.581 tors. eta vs tors. theta energy: -144.718 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: 7, replica: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1628.453202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.453202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.453202 (E_RNA) where: Base-Base interactions energy: -983.824 where: short stacking energy: -467.098 Base-Backbone interact. energy: 0.958 local terms energy: -645.587123 where: bonds (distance) C4'-P energy: -139.636 bonds (distance) P-C4' energy: -153.620 flat angles C4'-P-C4' energy: -153.926 flat angles P-C4'-P energy: -102.303 tors. eta vs tors. theta energy: -96.101 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: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1191.048844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.048844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.048844 (E_RNA) where: Base-Base interactions energy: -647.466 where: short stacking energy: -325.578 Base-Backbone interact. energy: -1.157 local terms energy: -542.425051 where: bonds (distance) C4'-P energy: -159.925 bonds (distance) P-C4' energy: -149.212 flat angles C4'-P-C4' energy: -126.885 flat angles P-C4'-P energy: -68.537 tors. eta vs tors. theta energy: -37.866 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: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -867.089651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.089651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.089651 (E_RNA) where: Base-Base interactions energy: -357.368 where: short stacking energy: -232.217 Base-Backbone interact. energy: -2.161 local terms energy: -507.560443 where: bonds (distance) C4'-P energy: -138.271 bonds (distance) P-C4' energy: -156.057 flat angles C4'-P-C4' energy: -135.409 flat angles P-C4'-P energy: -93.275 tors. eta vs tors. theta energy: 15.451 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: 5 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -652.470089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.470089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.470089 (E_RNA) where: Base-Base interactions energy: -216.817 where: short stacking energy: -158.481 Base-Backbone interact. energy: -0.185 local terms energy: -435.467722 where: bonds (distance) C4'-P energy: -130.062 bonds (distance) P-C4' energy: -162.853 flat angles C4'-P-C4' energy: -122.860 flat angles P-C4'-P energy: -67.696 tors. eta vs tors. theta energy: 48.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3121.438418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.438418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.438418 (E_RNA) where: Base-Base interactions energy: -2144.917 where: short stacking energy: -881.835 Base-Backbone interact. energy: -2.886 local terms energy: -973.635996 where: bonds (distance) C4'-P energy: -194.271 bonds (distance) P-C4' energy: -177.722 flat angles C4'-P-C4' energy: -204.782 flat angles P-C4'-P energy: -129.636 tors. eta vs tors. theta energy: -267.225 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: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2953.005715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.005715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.005715 (E_RNA) where: Base-Base interactions energy: -2019.996 where: short stacking energy: -851.121 Base-Backbone interact. energy: -6.559 local terms energy: -926.450620 where: bonds (distance) C4'-P energy: -171.506 bonds (distance) P-C4' energy: -168.611 flat angles C4'-P-C4' energy: -200.163 flat angles P-C4'-P energy: -139.468 tors. eta vs tors. theta energy: -246.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2878.383796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.383796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.383796 (E_RNA) where: Base-Base interactions energy: -1977.670 where: short stacking energy: -794.658 Base-Backbone interact. energy: -4.096 local terms energy: -896.617781 where: bonds (distance) C4'-P energy: -158.303 bonds (distance) P-C4' energy: -178.641 flat angles C4'-P-C4' energy: -197.943 flat angles P-C4'-P energy: -133.068 tors. eta vs tors. theta energy: -228.662 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: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2471.528801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.528801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.528801 (E_RNA) where: Base-Base interactions energy: -1653.069 where: short stacking energy: -724.725 Base-Backbone interact. energy: -1.543 local terms energy: -816.916746 where: bonds (distance) C4'-P energy: -140.403 bonds (distance) P-C4' energy: -166.657 flat angles C4'-P-C4' energy: -185.952 flat angles P-C4'-P energy: -112.248 tors. eta vs tors. theta energy: -211.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2315.408462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.408462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.408462 (E_RNA) where: Base-Base interactions energy: -1518.614 where: short stacking energy: -655.370 Base-Backbone interact. energy: -3.636 local terms energy: -793.157655 where: bonds (distance) C4'-P energy: -157.070 bonds (distance) P-C4' energy: -166.307 flat angles C4'-P-C4' energy: -170.870 flat angles P-C4'-P energy: -126.402 tors. eta vs tors. theta energy: -172.508 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: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2128.007546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.007546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.007546 (E_RNA) where: Base-Base interactions energy: -1386.479 where: short stacking energy: -596.821 Base-Backbone interact. energy: -0.125 local terms energy: -741.404124 where: bonds (distance) C4'-P energy: -152.276 bonds (distance) P-C4' energy: -165.171 flat angles C4'-P-C4' energy: -167.924 flat angles P-C4'-P energy: -100.974 tors. eta vs tors. theta energy: -155.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1650.336535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.336535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.336535 (E_RNA) where: Base-Base interactions energy: -1010.435 where: short stacking energy: -455.616 Base-Backbone interact. energy: -0.551 local terms energy: -639.351451 where: bonds (distance) C4'-P energy: -143.024 bonds (distance) P-C4' energy: -150.507 flat angles C4'-P-C4' energy: -157.088 flat angles P-C4'-P energy: -92.525 tors. eta vs tors. theta energy: -96.207 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: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1165.345672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.345672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.345672 (E_RNA) where: Base-Base interactions energy: -637.260 where: short stacking energy: -287.813 Base-Backbone interact. energy: -0.677 local terms energy: -527.408379 where: bonds (distance) C4'-P energy: -136.670 bonds (distance) P-C4' energy: -180.917 flat angles C4'-P-C4' energy: -109.539 flat angles P-C4'-P energy: -87.689 tors. eta vs tors. theta energy: -12.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -890.109346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.109346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.109346 (E_RNA) where: Base-Base interactions energy: -395.724 where: short stacking energy: -245.348 Base-Backbone interact. energy: 0.250 local terms energy: -494.634558 where: bonds (distance) C4'-P energy: -153.964 bonds (distance) P-C4' energy: -141.496 flat angles C4'-P-C4' energy: -112.000 flat angles P-C4'-P energy: -81.890 tors. eta vs tors. theta energy: -5.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -663.452461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.452461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.452461 (E_RNA) where: Base-Base interactions energy: -245.582 where: short stacking energy: -197.019 Base-Backbone interact. energy: 9.830 local terms energy: -427.700471 where: bonds (distance) C4'-P energy: -121.662 bonds (distance) P-C4' energy: -172.597 flat angles C4'-P-C4' energy: -117.426 flat angles P-C4'-P energy: -62.838 tors. eta vs tors. theta energy: 46.822 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: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3072.631257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.631257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.631257 (E_RNA) where: Base-Base interactions energy: -2128.425 where: short stacking energy: -843.945 Base-Backbone interact. energy: -5.781 local terms energy: -938.425460 where: bonds (distance) C4'-P energy: -183.195 bonds (distance) P-C4' energy: -179.215 flat angles C4'-P-C4' energy: -193.309 flat angles P-C4'-P energy: -126.064 tors. eta vs tors. theta energy: -256.643 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: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2975.473352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.473352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.473352 (E_RNA) where: Base-Base interactions energy: -2030.525 where: short stacking energy: -834.387 Base-Backbone interact. energy: -6.651 local terms energy: -938.297286 where: bonds (distance) C4'-P energy: -189.238 bonds (distance) P-C4' energy: -176.191 flat angles C4'-P-C4' energy: -184.691 flat angles P-C4'-P energy: -130.067 tors. eta vs tors. theta energy: -258.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2828.803007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.803007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.803007 (E_RNA) where: Base-Base interactions energy: -1940.366 where: short stacking energy: -796.975 Base-Backbone interact. energy: -1.510 local terms energy: -886.926602 where: bonds (distance) C4'-P energy: -167.346 bonds (distance) P-C4' energy: -182.685 flat angles C4'-P-C4' energy: -194.053 flat angles P-C4'-P energy: -120.004 tors. eta vs tors. theta energy: -222.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2517.338128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.338128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.338128 (E_RNA) where: Base-Base interactions energy: -1650.114 where: short stacking energy: -715.785 Base-Backbone interact. energy: -2.774 local terms energy: -864.450263 where: bonds (distance) C4'-P energy: -160.902 bonds (distance) P-C4' energy: -176.133 flat angles C4'-P-C4' energy: -184.263 flat angles P-C4'-P energy: -126.444 tors. eta vs tors. theta energy: -216.708 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: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2209.444679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.444679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.444679 (E_RNA) where: Base-Base interactions energy: -1446.644 where: short stacking energy: -590.479 Base-Backbone interact. energy: -4.649 local terms energy: -758.151020 where: bonds (distance) C4'-P energy: -162.003 bonds (distance) P-C4' energy: -162.514 flat angles C4'-P-C4' energy: -164.454 flat angles P-C4'-P energy: -107.184 tors. eta vs tors. theta energy: -161.997 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: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2230.288102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.288102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.288102 (E_RNA) where: Base-Base interactions energy: -1469.224 where: short stacking energy: -611.201 Base-Backbone interact. energy: 2.209 local terms energy: -763.272642 where: bonds (distance) C4'-P energy: -145.199 bonds (distance) P-C4' energy: -154.222 flat angles C4'-P-C4' energy: -171.060 flat angles P-C4'-P energy: -128.914 tors. eta vs tors. theta energy: -163.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1695.933783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.933783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.933783 (E_RNA) where: Base-Base interactions energy: -1020.135 where: short stacking energy: -437.259 Base-Backbone interact. energy: -1.280 local terms energy: -674.518690 where: bonds (distance) C4'-P energy: -151.445 bonds (distance) P-C4' energy: -163.542 flat angles C4'-P-C4' energy: -157.677 flat angles P-C4'-P energy: -105.142 tors. eta vs tors. theta energy: -96.712 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: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1128.069297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.069297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.069297 (E_RNA) where: Base-Base interactions energy: -600.132 where: short stacking energy: -257.487 Base-Backbone interact. energy: 2.157 local terms energy: -530.094604 where: bonds (distance) C4'-P energy: -160.278 bonds (distance) P-C4' energy: -143.634 flat angles C4'-P-C4' energy: -140.825 flat angles P-C4'-P energy: -90.275 tors. eta vs tors. theta energy: 4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -956.938983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.938983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.938983 (E_RNA) where: Base-Base interactions energy: -497.891 where: short stacking energy: -262.761 Base-Backbone interact. energy: 6.945 local terms energy: -465.992566 where: bonds (distance) C4'-P energy: -126.532 bonds (distance) P-C4' energy: -142.671 flat angles C4'-P-C4' energy: -126.209 flat angles P-C4'-P energy: -85.855 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: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -661.888855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.888855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.888855 (E_RNA) where: Base-Base interactions energy: -233.959 where: short stacking energy: -200.124 Base-Backbone interact. energy: -4.947 local terms energy: -422.983465 where: bonds (distance) C4'-P energy: -146.859 bonds (distance) P-C4' energy: -124.148 flat angles C4'-P-C4' energy: -116.818 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: 21.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3083.232276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.232276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.232276 (E_RNA) where: Base-Base interactions energy: -2128.744 where: short stacking energy: -906.894 Base-Backbone interact. energy: 0.941 local terms energy: -955.429275 where: bonds (distance) C4'-P energy: -170.002 bonds (distance) P-C4' energy: -182.087 flat angles C4'-P-C4' energy: -193.231 flat angles P-C4'-P energy: -139.092 tors. eta vs tors. theta energy: -271.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2993.782148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.782148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.782148 (E_RNA) where: Base-Base interactions energy: -2050.000 where: short stacking energy: -844.592 Base-Backbone interact. energy: -3.131 local terms energy: -940.650874 where: bonds (distance) C4'-P energy: -171.055 bonds (distance) P-C4' energy: -180.575 flat angles C4'-P-C4' energy: -204.036 flat angles P-C4'-P energy: -127.245 tors. eta vs tors. theta energy: -257.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2866.458237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.458237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.458237 (E_RNA) where: Base-Base interactions energy: -1946.955 where: short stacking energy: -777.119 Base-Backbone interact. energy: -3.552 local terms energy: -915.950724 where: bonds (distance) C4'-P energy: -165.894 bonds (distance) P-C4' energy: -179.861 flat angles C4'-P-C4' energy: -194.746 flat angles P-C4'-P energy: -142.604 tors. eta vs tors. theta energy: -232.845 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: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2494.268379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.268379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.268379 (E_RNA) where: Base-Base interactions energy: -1617.194 where: short stacking energy: -694.565 Base-Backbone interact. energy: -2.069 local terms energy: -875.004895 where: bonds (distance) C4'-P energy: -176.328 bonds (distance) P-C4' energy: -155.392 flat angles C4'-P-C4' energy: -205.218 flat angles P-C4'-P energy: -117.200 tors. eta vs tors. theta energy: -220.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2259.137366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.137366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.137366 (E_RNA) where: Base-Base interactions energy: -1479.714 where: short stacking energy: -621.992 Base-Backbone interact. energy: -0.485 local terms energy: -778.938693 where: bonds (distance) C4'-P energy: -150.451 bonds (distance) P-C4' energy: -162.124 flat angles C4'-P-C4' energy: -180.215 flat angles P-C4'-P energy: -109.868 tors. eta vs tors. theta energy: -176.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2201.423040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.423040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.423040 (E_RNA) where: Base-Base interactions energy: -1418.358 where: short stacking energy: -587.991 Base-Backbone interact. energy: -4.057 local terms energy: -779.007801 where: bonds (distance) C4'-P energy: -150.591 bonds (distance) P-C4' energy: -166.609 flat angles C4'-P-C4' energy: -176.873 flat angles P-C4'-P energy: -105.997 tors. eta vs tors. theta energy: -178.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1776.124824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.124824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.124824 (E_RNA) where: Base-Base interactions energy: -1127.988 where: short stacking energy: -548.181 Base-Backbone interact. energy: 0.400 local terms energy: -648.536778 where: bonds (distance) C4'-P energy: -133.703 bonds (distance) P-C4' energy: -147.031 flat angles C4'-P-C4' energy: -165.191 flat angles P-C4'-P energy: -96.971 tors. eta vs tors. theta energy: -105.640 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: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1103.485557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.485557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.485557 (E_RNA) where: Base-Base interactions energy: -561.649 where: short stacking energy: -309.638 Base-Backbone interact. energy: -0.012 local terms energy: -541.824371 where: bonds (distance) C4'-P energy: -145.337 bonds (distance) P-C4' energy: -139.700 flat angles C4'-P-C4' energy: -145.350 flat angles P-C4'-P energy: -83.800 tors. eta vs tors. theta energy: -27.638 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: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -945.138727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.138727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.138727 (E_RNA) where: Base-Base interactions energy: -446.131 where: short stacking energy: -247.969 Base-Backbone interact. energy: 13.783 local terms energy: -512.790160 where: bonds (distance) C4'-P energy: -148.682 bonds (distance) P-C4' energy: -138.263 flat angles C4'-P-C4' energy: -158.729 flat angles P-C4'-P energy: -74.398 tors. eta vs tors. theta energy: 7.282 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: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -652.943956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.943956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.943956 (E_RNA) where: Base-Base interactions energy: -237.111 where: short stacking energy: -209.321 Base-Backbone interact. energy: -3.942 local terms energy: -411.891038 where: bonds (distance) C4'-P energy: -146.683 bonds (distance) P-C4' energy: -153.309 flat angles C4'-P-C4' energy: -98.268 flat angles P-C4'-P energy: -60.798 tors. eta vs tors. theta energy: 47.167 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: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3075.205592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.205592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.205592 (E_RNA) where: Base-Base interactions energy: -2129.925 where: short stacking energy: -881.741 Base-Backbone interact. energy: -1.177 local terms energy: -944.104343 where: bonds (distance) C4'-P energy: -182.179 bonds (distance) P-C4' energy: -179.339 flat angles C4'-P-C4' energy: -191.537 flat angles P-C4'-P energy: -127.784 tors. eta vs tors. theta energy: -263.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2975.013446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.013446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.013446 (E_RNA) where: Base-Base interactions energy: -2019.407 where: short stacking energy: -844.256 Base-Backbone interact. energy: -6.661 local terms energy: -948.944595 where: bonds (distance) C4'-P energy: -178.297 bonds (distance) P-C4' energy: -171.577 flat angles C4'-P-C4' energy: -210.037 flat angles P-C4'-P energy: -129.160 tors. eta vs tors. theta energy: -259.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2852.840696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.840696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.840696 (E_RNA) where: Base-Base interactions energy: -1937.189 where: short stacking energy: -770.701 Base-Backbone interact. energy: 2.006 local terms energy: -917.657507 where: bonds (distance) C4'-P energy: -154.676 bonds (distance) P-C4' energy: -180.036 flat angles C4'-P-C4' energy: -200.434 flat angles P-C4'-P energy: -141.745 tors. eta vs tors. theta energy: -240.766 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: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2486.884004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.884004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.884004 (E_RNA) where: Base-Base interactions energy: -1662.658 where: short stacking energy: -713.881 Base-Backbone interact. energy: -1.398 local terms energy: -822.828257 where: bonds (distance) C4'-P energy: -155.264 bonds (distance) P-C4' energy: -171.980 flat angles C4'-P-C4' energy: -183.552 flat angles P-C4'-P energy: -117.980 tors. eta vs tors. theta energy: -194.053 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: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2331.793020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.793020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.793020 (E_RNA) where: Base-Base interactions energy: -1562.425 where: short stacking energy: -679.684 Base-Backbone interact. energy: 0.402 local terms energy: -769.769612 where: bonds (distance) C4'-P energy: -148.410 bonds (distance) P-C4' energy: -139.252 flat angles C4'-P-C4' energy: -172.472 flat angles P-C4'-P energy: -118.717 tors. eta vs tors. theta energy: -190.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2116.940605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.940605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.940605 (E_RNA) where: Base-Base interactions energy: -1399.551 where: short stacking energy: -593.906 Base-Backbone interact. energy: 0.423 local terms energy: -717.813041 where: bonds (distance) C4'-P energy: -144.952 bonds (distance) P-C4' energy: -139.038 flat angles C4'-P-C4' energy: -177.731 flat angles P-C4'-P energy: -116.690 tors. eta vs tors. theta energy: -139.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1768.244415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.244415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.244415 (E_RNA) where: Base-Base interactions energy: -1119.812 where: short stacking energy: -525.086 Base-Backbone interact. energy: -0.730 local terms energy: -647.701810 where: bonds (distance) C4'-P energy: -133.095 bonds (distance) P-C4' energy: -164.705 flat angles C4'-P-C4' energy: -151.740 flat angles P-C4'-P energy: -79.321 tors. eta vs tors. theta energy: -118.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1116.052610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.052610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.052610 (E_RNA) where: Base-Base interactions energy: -571.393 where: short stacking energy: -324.561 Base-Backbone interact. energy: -1.024 local terms energy: -543.635283 where: bonds (distance) C4'-P energy: -133.158 bonds (distance) P-C4' energy: -171.976 flat angles C4'-P-C4' energy: -133.439 flat angles P-C4'-P energy: -67.305 tors. eta vs tors. theta energy: -37.756 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: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1002.379353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.379353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.379353 (E_RNA) where: Base-Base interactions energy: -506.240 where: short stacking energy: -254.090 Base-Backbone interact. energy: 1.747 local terms energy: -497.886901 where: bonds (distance) C4'-P energy: -157.252 bonds (distance) P-C4' energy: -156.655 flat angles C4'-P-C4' energy: -123.280 flat angles P-C4'-P energy: -74.225 tors. eta vs tors. theta energy: 13.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -661.448885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.448885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.448885 (E_RNA) where: Base-Base interactions energy: -234.645 where: short stacking energy: -164.148 Base-Backbone interact. energy: -0.316 local terms energy: -426.487370 where: bonds (distance) C4'-P energy: -137.366 bonds (distance) P-C4' energy: -170.705 flat angles C4'-P-C4' energy: -126.475 flat angles P-C4'-P energy: -44.789 tors. eta vs tors. theta energy: 52.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3103.340648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.340648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.340648 (E_RNA) where: Base-Base interactions energy: -2140.512 where: short stacking energy: -879.350 Base-Backbone interact. energy: -2.334 local terms energy: -960.494863 where: bonds (distance) C4'-P energy: -192.873 bonds (distance) P-C4' energy: -179.882 flat angles C4'-P-C4' energy: -207.796 flat angles P-C4'-P energy: -129.989 tors. eta vs tors. theta energy: -249.955 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: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -3019.835055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.835055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.835055 (E_RNA) where: Base-Base interactions energy: -2086.272 where: short stacking energy: -876.047 Base-Backbone interact. energy: -1.501 local terms energy: -932.062383 where: bonds (distance) C4'-P energy: -164.708 bonds (distance) P-C4' energy: -179.326 flat angles C4'-P-C4' energy: -190.554 flat angles P-C4'-P energy: -136.626 tors. eta vs tors. theta energy: -260.848 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: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2838.973249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.973249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.973249 (E_RNA) where: Base-Base interactions energy: -1933.811 where: short stacking energy: -778.439 Base-Backbone interact. energy: -2.146 local terms energy: -903.016405 where: bonds (distance) C4'-P energy: -176.538 bonds (distance) P-C4' energy: -181.190 flat angles C4'-P-C4' energy: -205.268 flat angles P-C4'-P energy: -119.150 tors. eta vs tors. theta energy: -220.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2571.763899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.763899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.763899 (E_RNA) where: Base-Base interactions energy: -1703.089 where: short stacking energy: -739.362 Base-Backbone interact. energy: -3.716 local terms energy: -864.958909 where: bonds (distance) C4'-P energy: -160.119 bonds (distance) P-C4' energy: -178.470 flat angles C4'-P-C4' energy: -187.855 flat angles P-C4'-P energy: -120.779 tors. eta vs tors. theta energy: -217.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2368.498277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.498277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.498277 (E_RNA) where: Base-Base interactions energy: -1538.847 where: short stacking energy: -687.840 Base-Backbone interact. energy: 1.482 local terms energy: -831.132868 where: bonds (distance) C4'-P energy: -182.430 bonds (distance) P-C4' energy: -169.292 flat angles C4'-P-C4' energy: -187.780 flat angles P-C4'-P energy: -106.050 tors. eta vs tors. theta energy: -185.581 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: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2073.654530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.654530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.654530 (E_RNA) where: Base-Base interactions energy: -1374.872 where: short stacking energy: -574.038 Base-Backbone interact. energy: 2.067 local terms energy: -700.848687 where: bonds (distance) C4'-P energy: -148.949 bonds (distance) P-C4' energy: -155.110 flat angles C4'-P-C4' energy: -167.873 flat angles P-C4'-P energy: -95.282 tors. eta vs tors. theta energy: -133.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1828.439294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.439294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.439294 (E_RNA) where: Base-Base interactions energy: -1133.079 where: short stacking energy: -529.696 Base-Backbone interact. energy: 2.907 local terms energy: -698.267698 where: bonds (distance) C4'-P energy: -158.919 bonds (distance) P-C4' energy: -158.040 flat angles C4'-P-C4' energy: -134.408 flat angles P-C4'-P energy: -116.540 tors. eta vs tors. theta energy: -130.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1048.439816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.439816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.439816 (E_RNA) where: Base-Base interactions energy: -487.027 where: short stacking energy: -269.452 Base-Backbone interact. energy: 3.608 local terms energy: -565.020916 where: bonds (distance) C4'-P energy: -180.914 bonds (distance) P-C4' energy: -161.561 flat angles C4'-P-C4' energy: -146.802 flat angles P-C4'-P energy: -76.475 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1014.237525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.237525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.237525 (E_RNA) where: Base-Base interactions energy: -522.912 where: short stacking energy: -316.707 Base-Backbone interact. energy: -1.861 local terms energy: -489.464172 where: bonds (distance) C4'-P energy: -149.591 bonds (distance) P-C4' energy: -135.353 flat angles C4'-P-C4' energy: -113.345 flat angles P-C4'-P energy: -61.860 tors. eta vs tors. theta energy: -29.316 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: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -669.119536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.119536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.119536 (E_RNA) where: Base-Base interactions energy: -256.570 where: short stacking energy: -191.719 Base-Backbone interact. energy: 15.468 local terms energy: -428.017140 where: bonds (distance) C4'-P energy: -135.581 bonds (distance) P-C4' energy: -162.030 flat angles C4'-P-C4' energy: -112.918 flat angles P-C4'-P energy: -57.840 tors. eta vs tors. theta energy: 40.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3101.310791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.310791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.310791 (E_RNA) where: Base-Base interactions energy: -2123.271 where: short stacking energy: -895.069 Base-Backbone interact. energy: 0.250 local terms energy: -978.289892 where: bonds (distance) C4'-P energy: -184.463 bonds (distance) P-C4' energy: -187.088 flat angles C4'-P-C4' energy: -215.297 flat angles P-C4'-P energy: -124.250 tors. eta vs tors. theta energy: -267.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -3006.050154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.050154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.050154 (E_RNA) where: Base-Base interactions energy: -2043.496 where: short stacking energy: -865.684 Base-Backbone interact. energy: -5.911 local terms energy: -956.643079 where: bonds (distance) C4'-P energy: -186.561 bonds (distance) P-C4' energy: -167.740 flat angles C4'-P-C4' energy: -196.615 flat angles P-C4'-P energy: -143.162 tors. eta vs tors. theta energy: -262.565 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: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2820.304579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.304579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.304579 (E_RNA) where: Base-Base interactions energy: -1904.412 where: short stacking energy: -788.608 Base-Backbone interact. energy: -3.485 local terms energy: -912.407762 where: bonds (distance) C4'-P energy: -171.819 bonds (distance) P-C4' energy: -166.464 flat angles C4'-P-C4' energy: -195.115 flat angles P-C4'-P energy: -141.533 tors. eta vs tors. theta energy: -237.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2585.692496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.692496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.692496 (E_RNA) where: Base-Base interactions energy: -1736.962 where: short stacking energy: -727.027 Base-Backbone interact. energy: -2.457 local terms energy: -846.274026 where: bonds (distance) C4'-P energy: -157.105 bonds (distance) P-C4' energy: -178.420 flat angles C4'-P-C4' energy: -175.484 flat angles P-C4'-P energy: -124.258 tors. eta vs tors. theta energy: -211.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2371.564644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.564644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.564644 (E_RNA) where: Base-Base interactions energy: -1546.364 where: short stacking energy: -665.779 Base-Backbone interact. energy: 0.089 local terms energy: -825.288952 where: bonds (distance) C4'-P energy: -158.612 bonds (distance) P-C4' energy: -161.688 flat angles C4'-P-C4' energy: -180.040 flat angles P-C4'-P energy: -110.535 tors. eta vs tors. theta energy: -214.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2058.992653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.992653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.992653 (E_RNA) where: Base-Base interactions energy: -1321.688 where: short stacking energy: -569.296 Base-Backbone interact. energy: 1.744 local terms energy: -739.048716 where: bonds (distance) C4'-P energy: -149.995 bonds (distance) P-C4' energy: -175.732 flat angles C4'-P-C4' energy: -160.976 flat angles P-C4'-P energy: -110.929 tors. eta vs tors. theta energy: -141.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1779.929495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.929495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.929495 (E_RNA) where: Base-Base interactions energy: -1105.461 where: short stacking energy: -503.031 Base-Backbone interact. energy: -1.818 local terms energy: -672.649942 where: bonds (distance) C4'-P energy: -139.984 bonds (distance) P-C4' energy: -163.380 flat angles C4'-P-C4' energy: -172.892 flat angles P-C4'-P energy: -89.368 tors. eta vs tors. theta energy: -107.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1132.116260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.116260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.116260 (E_RNA) where: Base-Base interactions energy: -616.857 where: short stacking energy: -322.939 Base-Backbone interact. energy: -2.964 local terms energy: -512.295382 where: bonds (distance) C4'-P energy: -143.474 bonds (distance) P-C4' energy: -146.545 flat angles C4'-P-C4' energy: -125.991 flat angles P-C4'-P energy: -80.815 tors. eta vs tors. theta energy: -15.470 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: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1002.197448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.197448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.197448 (E_RNA) where: Base-Base interactions energy: -495.596 where: short stacking energy: -262.859 Base-Backbone interact. energy: -0.420 local terms energy: -506.181255 where: bonds (distance) C4'-P energy: -155.294 bonds (distance) P-C4' energy: -147.736 flat angles C4'-P-C4' energy: -116.179 flat angles P-C4'-P energy: -75.885 tors. eta vs tors. theta energy: -11.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -643.899420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.899420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.899420 (E_RNA) where: Base-Base interactions energy: -216.379 where: short stacking energy: -180.458 Base-Backbone interact. energy: 5.951 local terms energy: -433.471843 where: bonds (distance) C4'-P energy: -152.046 bonds (distance) P-C4' energy: -114.991 flat angles C4'-P-C4' energy: -124.946 flat angles P-C4'-P energy: -87.590 tors. eta vs tors. theta energy: 46.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3088.950914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.950914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.950914 (E_RNA) where: Base-Base interactions energy: -2134.976 where: short stacking energy: -900.988 Base-Backbone interact. energy: -1.582 local terms energy: -952.392581 where: bonds (distance) C4'-P energy: -171.384 bonds (distance) P-C4' energy: -183.235 flat angles C4'-P-C4' energy: -196.043 flat angles P-C4'-P energy: -134.764 tors. eta vs tors. theta energy: -266.966 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: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -3050.098915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.098915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.098915 (E_RNA) where: Base-Base interactions energy: -2082.604 where: short stacking energy: -873.909 Base-Backbone interact. energy: -6.673 local terms energy: -960.821550 where: bonds (distance) C4'-P energy: -178.951 bonds (distance) P-C4' energy: -177.874 flat angles C4'-P-C4' energy: -209.960 flat angles P-C4'-P energy: -132.981 tors. eta vs tors. theta energy: -261.056 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: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2790.002683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.002683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.002683 (E_RNA) where: Base-Base interactions energy: -1915.546 where: short stacking energy: -761.592 Base-Backbone interact. energy: -7.245 local terms energy: -867.212346 where: bonds (distance) C4'-P energy: -169.838 bonds (distance) P-C4' energy: -165.471 flat angles C4'-P-C4' energy: -183.950 flat angles P-C4'-P energy: -136.453 tors. eta vs tors. theta energy: -211.501 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: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2579.666302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.666302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.666302 (E_RNA) where: Base-Base interactions energy: -1711.928 where: short stacking energy: -723.664 Base-Backbone interact. energy: -0.911 local terms energy: -866.826954 where: bonds (distance) C4'-P energy: -166.359 bonds (distance) P-C4' energy: -179.188 flat angles C4'-P-C4' energy: -190.463 flat angles P-C4'-P energy: -125.558 tors. eta vs tors. theta energy: -205.258 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: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2339.299700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.299700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.299700 (E_RNA) where: Base-Base interactions energy: -1531.167 where: short stacking energy: -626.074 Base-Backbone interact. energy: 3.672 local terms energy: -811.805367 where: bonds (distance) C4'-P energy: -165.182 bonds (distance) P-C4' energy: -172.955 flat angles C4'-P-C4' energy: -185.535 flat angles P-C4'-P energy: -99.656 tors. eta vs tors. theta energy: -188.477 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: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2040.219498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.219498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.219498 (E_RNA) where: Base-Base interactions energy: -1354.375 where: short stacking energy: -599.096 Base-Backbone interact. energy: -1.319 local terms energy: -684.525615 where: bonds (distance) C4'-P energy: -134.277 bonds (distance) P-C4' energy: -123.245 flat angles C4'-P-C4' energy: -174.417 flat angles P-C4'-P energy: -98.452 tors. eta vs tors. theta energy: -154.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1792.908113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.908113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.908113 (E_RNA) where: Base-Base interactions energy: -1142.595 where: short stacking energy: -494.478 Base-Backbone interact. energy: 4.683 local terms energy: -654.996668 where: bonds (distance) C4'-P energy: -157.298 bonds (distance) P-C4' energy: -146.164 flat angles C4'-P-C4' energy: -163.259 flat angles P-C4'-P energy: -73.182 tors. eta vs tors. theta energy: -115.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1170.780007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.780007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.780007 (E_RNA) where: Base-Base interactions energy: -600.625 where: short stacking energy: -319.371 Base-Backbone interact. energy: -0.604 local terms energy: -569.551011 where: bonds (distance) C4'-P energy: -125.417 bonds (distance) P-C4' energy: -182.436 flat angles C4'-P-C4' energy: -142.724 flat angles P-C4'-P energy: -97.617 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: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -949.846766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.846766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.846766 (E_RNA) where: Base-Base interactions energy: -467.410 where: short stacking energy: -257.867 Base-Backbone interact. energy: 0.195 local terms energy: -482.631807 where: bonds (distance) C4'-P energy: -135.525 bonds (distance) P-C4' energy: -175.796 flat angles C4'-P-C4' energy: -113.105 flat angles P-C4'-P energy: -66.613 tors. eta vs tors. theta energy: 8.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -659.015327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.015327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.015327 (E_RNA) where: Base-Base interactions energy: -210.296 where: short stacking energy: -192.605 Base-Backbone interact. energy: -1.703 local terms energy: -447.016272 where: bonds (distance) C4'-P energy: -145.266 bonds (distance) P-C4' energy: -151.261 flat angles C4'-P-C4' energy: -124.268 flat angles P-C4'-P energy: -75.379 tors. eta vs tors. theta energy: 49.158 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: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3060.854098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.854098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.854098 (E_RNA) where: Base-Base interactions energy: -2125.670 where: short stacking energy: -878.807 Base-Backbone interact. energy: -2.819 local terms energy: -932.364683 where: bonds (distance) C4'-P energy: -174.112 bonds (distance) P-C4' energy: -175.022 flat angles C4'-P-C4' energy: -198.730 flat angles P-C4'-P energy: -130.268 tors. eta vs tors. theta energy: -254.233 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: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -3037.889756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.889756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.889756 (E_RNA) where: Base-Base interactions energy: -2066.389 where: short stacking energy: -861.909 Base-Backbone interact. energy: -6.366 local terms energy: -965.134652 where: bonds (distance) C4'-P energy: -171.134 bonds (distance) P-C4' energy: -194.521 flat angles C4'-P-C4' energy: -204.389 flat angles P-C4'-P energy: -132.823 tors. eta vs tors. theta energy: -262.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2815.740656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.740656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.740656 (E_RNA) where: Base-Base interactions energy: -1925.638 where: short stacking energy: -787.947 Base-Backbone interact. energy: -5.121 local terms energy: -884.982218 where: bonds (distance) C4'-P energy: -176.442 bonds (distance) P-C4' energy: -158.735 flat angles C4'-P-C4' energy: -186.877 flat angles P-C4'-P energy: -143.071 tors. eta vs tors. theta energy: -219.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2573.483174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.483174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.483174 (E_RNA) where: Base-Base interactions energy: -1739.437 where: short stacking energy: -733.948 Base-Backbone interact. energy: -4.351 local terms energy: -829.695149 where: bonds (distance) C4'-P energy: -173.192 bonds (distance) P-C4' energy: -162.949 flat angles C4'-P-C4' energy: -184.054 flat angles P-C4'-P energy: -109.252 tors. eta vs tors. theta energy: -200.248 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: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2288.350059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.350059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.350059 (E_RNA) where: Base-Base interactions energy: -1514.801 where: short stacking energy: -661.849 Base-Backbone interact. energy: 1.267 local terms energy: -774.816773 where: bonds (distance) C4'-P energy: -169.202 bonds (distance) P-C4' energy: -153.801 flat angles C4'-P-C4' energy: -173.164 flat angles P-C4'-P energy: -123.015 tors. eta vs tors. theta energy: -155.635 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: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2082.283999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.283999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.283999 (E_RNA) where: Base-Base interactions energy: -1347.229 where: short stacking energy: -594.092 Base-Backbone interact. energy: -0.136 local terms energy: -734.919216 where: bonds (distance) C4'-P energy: -157.241 bonds (distance) P-C4' energy: -172.124 flat angles C4'-P-C4' energy: -161.822 flat angles P-C4'-P energy: -100.597 tors. eta vs tors. theta energy: -143.135 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: 2 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1776.701830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.701830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.701830 (E_RNA) where: Base-Base interactions energy: -1110.588 where: short stacking energy: -500.080 Base-Backbone interact. energy: 2.655 local terms energy: -668.769106 where: bonds (distance) C4'-P energy: -139.808 bonds (distance) P-C4' energy: -172.049 flat angles C4'-P-C4' energy: -160.526 flat angles P-C4'-P energy: -104.666 tors. eta vs tors. theta energy: -91.719 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: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1151.763118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.763118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.763118 (E_RNA) where: Base-Base interactions energy: -628.290 where: short stacking energy: -304.182 Base-Backbone interact. energy: -1.067 local terms energy: -522.406098 where: bonds (distance) C4'-P energy: -125.997 bonds (distance) P-C4' energy: -170.999 flat angles C4'-P-C4' energy: -129.911 flat angles P-C4'-P energy: -84.794 tors. eta vs tors. theta energy: -10.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -997.149792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.149792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.149792 (E_RNA) where: Base-Base interactions energy: -483.366 where: short stacking energy: -272.143 Base-Backbone interact. energy: 3.037 local terms energy: -516.821438 where: bonds (distance) C4'-P energy: -145.946 bonds (distance) P-C4' energy: -152.379 flat angles C4'-P-C4' energy: -138.161 flat angles P-C4'-P energy: -83.786 tors. eta vs tors. theta energy: 3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -668.651694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.651694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.651694 (E_RNA) where: Base-Base interactions energy: -217.621 where: short stacking energy: -169.792 Base-Backbone interact. energy: 1.720 local terms energy: -452.751344 where: bonds (distance) C4'-P energy: -145.862 bonds (distance) P-C4' energy: -160.203 flat angles C4'-P-C4' energy: -118.707 flat angles P-C4'-P energy: -78.143 tors. eta vs tors. theta energy: 50.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3096.500430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.500430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.500430 (E_RNA) where: Base-Base interactions energy: -2137.291 where: short stacking energy: -882.075 Base-Backbone interact. energy: 3.646 local terms energy: -962.854968 where: bonds (distance) C4'-P energy: -167.479 bonds (distance) P-C4' energy: -188.256 flat angles C4'-P-C4' energy: -214.455 flat angles P-C4'-P energy: -126.213 tors. eta vs tors. theta energy: -266.452 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -3029.397129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.397129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.397129 (E_RNA) where: Base-Base interactions energy: -2059.689 where: short stacking energy: -866.491 Base-Backbone interact. energy: -1.426 local terms energy: -968.281583 where: bonds (distance) C4'-P energy: -190.393 bonds (distance) P-C4' energy: -186.207 flat angles C4'-P-C4' energy: -203.572 flat angles P-C4'-P energy: -116.591 tors. eta vs tors. theta energy: -271.518 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: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2763.211637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.211637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.211637 (E_RNA) where: Base-Base interactions energy: -1905.020 where: short stacking energy: -773.688 Base-Backbone interact. energy: -5.521 local terms energy: -852.670724 where: bonds (distance) C4'-P energy: -164.127 bonds (distance) P-C4' energy: -161.239 flat angles C4'-P-C4' energy: -201.381 flat angles P-C4'-P energy: -123.711 tors. eta vs tors. theta energy: -202.213 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: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2550.306897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.306897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.306897 (E_RNA) where: Base-Base interactions energy: -1693.860 where: short stacking energy: -695.274 Base-Backbone interact. energy: -4.203 local terms energy: -852.243503 where: bonds (distance) C4'-P energy: -159.569 bonds (distance) P-C4' energy: -182.099 flat angles C4'-P-C4' energy: -186.055 flat angles P-C4'-P energy: -130.089 tors. eta vs tors. theta energy: -194.431 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: 301 Temperature: 1.100000 Total energy: -2297.940762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.940762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.940762 (E_RNA) where: Base-Base interactions energy: -1528.078 where: short stacking energy: -677.519 Base-Backbone interact. energy: 4.757 local terms energy: -774.620491 where: bonds (distance) C4'-P energy: -165.753 bonds (distance) P-C4' energy: -159.529 flat angles C4'-P-C4' energy: -172.967 flat angles P-C4'-P energy: -97.147 tors. eta vs tors. theta energy: -179.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2045.925867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.925867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.925867 (E_RNA) where: Base-Base interactions energy: -1339.964 where: short stacking energy: -537.274 Base-Backbone interact. energy: -4.137 local terms energy: -701.824055 where: bonds (distance) C4'-P energy: -147.668 bonds (distance) P-C4' energy: -156.658 flat angles C4'-P-C4' energy: -158.905 flat angles P-C4'-P energy: -113.996 tors. eta vs tors. theta energy: -124.598 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: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1604.836633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.836633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.836633 (E_RNA) where: Base-Base interactions energy: -1002.669 where: short stacking energy: -456.070 Base-Backbone interact. energy: -1.983 local terms energy: -600.184586 where: bonds (distance) C4'-P energy: -156.256 bonds (distance) P-C4' energy: -142.806 flat angles C4'-P-C4' energy: -139.622 flat angles P-C4'-P energy: -72.725 tors. eta vs tors. theta energy: -88.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1128.376220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.376220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.376220 (E_RNA) where: Base-Base interactions energy: -594.294 where: short stacking energy: -323.211 Base-Backbone interact. energy: -1.288 local terms energy: -532.794329 where: bonds (distance) C4'-P energy: -136.882 bonds (distance) P-C4' energy: -145.726 flat angles C4'-P-C4' energy: -144.362 flat angles P-C4'-P energy: -88.272 tors. eta vs tors. theta energy: -17.552 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: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -978.042025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.042025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.042025 (E_RNA) where: Base-Base interactions energy: -501.940 where: short stacking energy: -255.277 Base-Backbone interact. energy: 0.289 local terms energy: -476.390241 where: bonds (distance) C4'-P energy: -133.585 bonds (distance) P-C4' energy: -141.461 flat angles C4'-P-C4' energy: -125.188 flat angles P-C4'-P energy: -87.616 tors. eta vs tors. theta energy: 11.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -687.033912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.033912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.033912 (E_RNA) where: Base-Base interactions energy: -233.825 where: short stacking energy: -199.432 Base-Backbone interact. energy: 2.989 local terms energy: -456.197583 where: bonds (distance) C4'-P energy: -150.759 bonds (distance) P-C4' energy: -156.503 flat angles C4'-P-C4' energy: -122.895 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: 39.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3097.652776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.652776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.652776 (E_RNA) where: Base-Base interactions energy: -2139.463 where: short stacking energy: -888.698 Base-Backbone interact. energy: 2.179 local terms energy: -960.368543 where: bonds (distance) C4'-P energy: -187.765 bonds (distance) P-C4' energy: -172.905 flat angles C4'-P-C4' energy: -192.450 flat angles P-C4'-P energy: -139.826 tors. eta vs tors. theta energy: -267.422 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: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2974.994978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.994978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.994978 (E_RNA) where: Base-Base interactions energy: -2023.505 where: short stacking energy: -865.010 Base-Backbone interact. energy: -6.705 local terms energy: -944.784919 where: bonds (distance) C4'-P energy: -174.702 bonds (distance) P-C4' energy: -174.438 flat angles C4'-P-C4' energy: -201.697 flat angles P-C4'-P energy: -130.695 tors. eta vs tors. theta energy: -263.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2756.961706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.961706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.961706 (E_RNA) where: Base-Base interactions energy: -1869.382 where: short stacking energy: -755.909 Base-Backbone interact. energy: -0.765 local terms energy: -886.814440 where: bonds (distance) C4'-P energy: -169.456 bonds (distance) P-C4' energy: -166.447 flat angles C4'-P-C4' energy: -193.152 flat angles P-C4'-P energy: -138.589 tors. eta vs tors. theta energy: -219.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2514.490115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.490115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.490115 (E_RNA) where: Base-Base interactions energy: -1696.472 where: short stacking energy: -714.494 Base-Backbone interact. energy: -6.667 local terms energy: -811.350842 where: bonds (distance) C4'-P energy: -156.903 bonds (distance) P-C4' energy: -169.522 flat angles C4'-P-C4' energy: -186.335 flat angles P-C4'-P energy: -98.944 tors. eta vs tors. theta energy: -199.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2216.151323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.151323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.151323 (E_RNA) where: Base-Base interactions energy: -1457.766 where: short stacking energy: -600.876 Base-Backbone interact. energy: -0.709 local terms energy: -757.676141 where: bonds (distance) C4'-P energy: -142.884 bonds (distance) P-C4' energy: -173.506 flat angles C4'-P-C4' energy: -163.774 flat angles P-C4'-P energy: -125.963 tors. eta vs tors. theta energy: -151.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2129.541512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.541512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.541512 (E_RNA) where: Base-Base interactions energy: -1391.442 where: short stacking energy: -576.282 Base-Backbone interact. energy: -0.424 local terms energy: -737.675584 where: bonds (distance) C4'-P energy: -150.295 bonds (distance) P-C4' energy: -159.773 flat angles C4'-P-C4' energy: -188.063 flat angles P-C4'-P energy: -102.855 tors. eta vs tors. theta energy: -136.689 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: 7, replica: 2 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1657.652463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.652463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.652463 (E_RNA) where: Base-Base interactions energy: -1008.465 where: short stacking energy: -477.960 Base-Backbone interact. energy: -3.432 local terms energy: -645.755247 where: bonds (distance) C4'-P energy: -140.819 bonds (distance) P-C4' energy: -171.046 flat angles C4'-P-C4' energy: -161.795 flat angles P-C4'-P energy: -91.660 tors. eta vs tors. theta energy: -80.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1099.144404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.144404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.144404 (E_RNA) where: Base-Base interactions energy: -569.860 where: short stacking energy: -296.528 Base-Backbone interact. energy: 0.581 local terms energy: -529.865998 where: bonds (distance) C4'-P energy: -149.988 bonds (distance) P-C4' energy: -154.041 flat angles C4'-P-C4' energy: -150.781 flat angles P-C4'-P energy: -77.778 tors. eta vs tors. theta energy: 2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -938.325009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.325009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.325009 (E_RNA) where: Base-Base interactions energy: -469.907 where: short stacking energy: -270.691 Base-Backbone interact. energy: -3.584 local terms energy: -464.833579 where: bonds (distance) C4'-P energy: -146.493 bonds (distance) P-C4' energy: -133.291 flat angles C4'-P-C4' energy: -111.641 flat angles P-C4'-P energy: -69.980 tors. eta vs tors. theta energy: -3.428 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: 10, replica: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -642.940960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.940960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.940960 (E_RNA) where: Base-Base interactions energy: -217.032 where: short stacking energy: -176.173 Base-Backbone interact. energy: 0.194 local terms energy: -426.103712 where: bonds (distance) C4'-P energy: -142.825 bonds (distance) P-C4' energy: -152.254 flat angles C4'-P-C4' energy: -130.866 flat angles P-C4'-P energy: -55.960 tors. eta vs tors. theta energy: 55.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3118.156040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.156040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.156040 (E_RNA) where: Base-Base interactions energy: -2155.315 where: short stacking energy: -898.114 Base-Backbone interact. energy: -5.816 local terms energy: -957.025847 where: bonds (distance) C4'-P energy: -194.342 bonds (distance) P-C4' energy: -189.638 flat angles C4'-P-C4' energy: -186.948 flat angles P-C4'-P energy: -125.224 tors. eta vs tors. theta energy: -260.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2995.118130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.118130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.118130 (E_RNA) where: Base-Base interactions energy: -2042.631 where: short stacking energy: -866.505 Base-Backbone interact. energy: -2.360 local terms energy: -950.127486 where: bonds (distance) C4'-P energy: -181.598 bonds (distance) P-C4' energy: -185.383 flat angles C4'-P-C4' energy: -198.896 flat angles P-C4'-P energy: -136.260 tors. eta vs tors. theta energy: -247.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2847.167562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.167562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.167562 (E_RNA) where: Base-Base interactions energy: -1943.754 where: short stacking energy: -811.088 Base-Backbone interact. energy: 0.224 local terms energy: -903.637750 where: bonds (distance) C4'-P energy: -156.660 bonds (distance) P-C4' energy: -173.670 flat angles C4'-P-C4' energy: -204.982 flat angles P-C4'-P energy: -123.672 tors. eta vs tors. theta energy: -244.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2516.892573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.892573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.892573 (E_RNA) where: Base-Base interactions energy: -1672.966 where: short stacking energy: -726.196 Base-Backbone interact. energy: -5.431 local terms energy: -838.495016 where: bonds (distance) C4'-P energy: -156.145 bonds (distance) P-C4' energy: -181.021 flat angles C4'-P-C4' energy: -168.085 flat angles P-C4'-P energy: -117.412 tors. eta vs tors. theta energy: -215.832 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: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2291.726238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.726238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.726238 (E_RNA) where: Base-Base interactions energy: -1499.165 where: short stacking energy: -624.311 Base-Backbone interact. energy: -2.562 local terms energy: -789.999237 where: bonds (distance) C4'-P energy: -172.101 bonds (distance) P-C4' energy: -159.689 flat angles C4'-P-C4' energy: -169.689 flat angles P-C4'-P energy: -113.844 tors. eta vs tors. theta energy: -174.676 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: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2103.042194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.042194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.042194 (E_RNA) where: Base-Base interactions energy: -1373.865 where: short stacking energy: -618.785 Base-Backbone interact. energy: 3.293 local terms energy: -732.470810 where: bonds (distance) C4'-P energy: -157.934 bonds (distance) P-C4' energy: -152.278 flat angles C4'-P-C4' energy: -165.238 flat angles P-C4'-P energy: -109.341 tors. eta vs tors. theta energy: -147.680 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: 7, replica: 2 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1755.587708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.587708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.587708 (E_RNA) where: Base-Base interactions energy: -1076.000 where: short stacking energy: -519.469 Base-Backbone interact. energy: -1.228 local terms energy: -678.359425 where: bonds (distance) C4'-P energy: -141.821 bonds (distance) P-C4' energy: -153.247 flat angles C4'-P-C4' energy: -162.598 flat angles P-C4'-P energy: -89.949 tors. eta vs tors. theta energy: -130.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1111.459072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.459072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.459072 (E_RNA) where: Base-Base interactions energy: -551.725 where: short stacking energy: -288.136 Base-Backbone interact. energy: -1.256 local terms energy: -558.478993 where: bonds (distance) C4'-P energy: -139.316 bonds (distance) P-C4' energy: -155.804 flat angles C4'-P-C4' energy: -152.698 flat angles P-C4'-P energy: -96.452 tors. eta vs tors. theta energy: -14.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -968.073579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.073579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.073579 (E_RNA) where: Base-Base interactions energy: -451.599 where: short stacking energy: -237.054 Base-Backbone interact. energy: 1.782 local terms energy: -518.255731 where: bonds (distance) C4'-P energy: -163.369 bonds (distance) P-C4' energy: -145.945 flat angles C4'-P-C4' energy: -134.482 flat angles P-C4'-P energy: -72.352 tors. eta vs tors. theta energy: -2.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -671.334896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.334896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.334896 (E_RNA) where: Base-Base interactions energy: -261.833 where: short stacking energy: -176.110 Base-Backbone interact. energy: 4.167 local terms energy: -413.668760 where: bonds (distance) C4'-P energy: -146.829 bonds (distance) P-C4' energy: -145.171 flat angles C4'-P-C4' energy: -101.653 flat angles P-C4'-P energy: -70.151 tors. eta vs tors. theta energy: 50.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3122.191778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.191778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.191778 (E_RNA) where: Base-Base interactions energy: -2146.172 where: short stacking energy: -884.926 Base-Backbone interact. energy: -7.121 local terms energy: -968.899048 where: bonds (distance) C4'-P energy: -176.221 bonds (distance) P-C4' energy: -198.080 flat angles C4'-P-C4' energy: -209.110 flat angles P-C4'-P energy: -128.909 tors. eta vs tors. theta energy: -256.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2981.585428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.585428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.585428 (E_RNA) where: Base-Base interactions energy: -2053.760 where: short stacking energy: -848.574 Base-Backbone interact. energy: -3.862 local terms energy: -923.963729 where: bonds (distance) C4'-P energy: -176.864 bonds (distance) P-C4' energy: -168.921 flat angles C4'-P-C4' energy: -200.214 flat angles P-C4'-P energy: -139.233 tors. eta vs tors. theta energy: -238.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2798.025161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.025161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.025161 (E_RNA) where: Base-Base interactions energy: -1903.067 where: short stacking energy: -756.853 Base-Backbone interact. energy: -5.287 local terms energy: -889.672027 where: bonds (distance) C4'-P energy: -161.814 bonds (distance) P-C4' energy: -184.171 flat angles C4'-P-C4' energy: -181.282 flat angles P-C4'-P energy: -133.084 tors. eta vs tors. theta energy: -229.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2540.460235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.460235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.460235 (E_RNA) where: Base-Base interactions energy: -1672.423 where: short stacking energy: -736.655 Base-Backbone interact. energy: -5.797 local terms energy: -862.240250 where: bonds (distance) C4'-P energy: -160.873 bonds (distance) P-C4' energy: -183.092 flat angles C4'-P-C4' energy: -184.115 flat angles P-C4'-P energy: -120.148 tors. eta vs tors. theta energy: -214.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2230.101093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.101093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.101093 (E_RNA) where: Base-Base interactions energy: -1465.301 where: short stacking energy: -631.861 Base-Backbone interact. energy: -4.859 local terms energy: -759.941592 where: bonds (distance) C4'-P energy: -160.450 bonds (distance) P-C4' energy: -164.328 flat angles C4'-P-C4' energy: -175.735 flat angles P-C4'-P energy: -113.134 tors. eta vs tors. theta energy: -146.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2087.013567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.013567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.013567 (E_RNA) where: Base-Base interactions energy: -1339.228 where: short stacking energy: -588.548 Base-Backbone interact. energy: 2.308 local terms energy: -750.093544 where: bonds (distance) C4'-P energy: -149.702 bonds (distance) P-C4' energy: -179.608 flat angles C4'-P-C4' energy: -163.107 flat angles P-C4'-P energy: -104.863 tors. eta vs tors. theta energy: -152.814 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: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1698.001773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.001773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.001773 (E_RNA) where: Base-Base interactions energy: -1063.186 where: short stacking energy: -486.082 Base-Backbone interact. energy: -2.100 local terms energy: -632.716446 where: bonds (distance) C4'-P energy: -142.726 bonds (distance) P-C4' energy: -146.922 flat angles C4'-P-C4' energy: -151.180 flat angles P-C4'-P energy: -102.659 tors. eta vs tors. theta energy: -89.230 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: 8 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1132.658775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.658775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.658775 (E_RNA) where: Base-Base interactions energy: -556.591 where: short stacking energy: -284.182 Base-Backbone interact. energy: 0.473 local terms energy: -576.540941 where: bonds (distance) C4'-P energy: -162.944 bonds (distance) P-C4' energy: -161.061 flat angles C4'-P-C4' energy: -149.349 flat angles P-C4'-P energy: -84.333 tors. eta vs tors. theta energy: -18.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -903.559773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.559773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.559773 (E_RNA) where: Base-Base interactions energy: -434.022 where: short stacking energy: -249.546 Base-Backbone interact. energy: 3.041 local terms energy: -472.579180 where: bonds (distance) C4'-P energy: -164.655 bonds (distance) P-C4' energy: -145.219 flat angles C4'-P-C4' energy: -105.920 flat angles P-C4'-P energy: -71.438 tors. eta vs tors. theta energy: 14.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -693.937920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.937920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.937920 (E_RNA) where: Base-Base interactions energy: -261.217 where: short stacking energy: -155.154 Base-Backbone interact. energy: 1.667 local terms energy: -434.387754 where: bonds (distance) C4'-P energy: -147.426 bonds (distance) P-C4' energy: -154.169 flat angles C4'-P-C4' energy: -110.415 flat angles P-C4'-P energy: -69.476 tors. eta vs tors. theta energy: 47.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3134.755871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.755871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.755871 (E_RNA) where: Base-Base interactions energy: -2188.480 where: short stacking energy: -874.277 Base-Backbone interact. energy: 0.891 local terms energy: -947.167609 where: bonds (distance) C4'-P energy: -174.188 bonds (distance) P-C4' energy: -180.892 flat angles C4'-P-C4' energy: -192.982 flat angles P-C4'-P energy: -139.973 tors. eta vs tors. theta energy: -259.133 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: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2971.745001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.745001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.745001 (E_RNA) where: Base-Base interactions energy: -2047.237 where: short stacking energy: -839.578 Base-Backbone interact. energy: -3.383 local terms energy: -921.124305 where: bonds (distance) C4'-P energy: -175.036 bonds (distance) P-C4' energy: -169.665 flat angles C4'-P-C4' energy: -202.771 flat angles P-C4'-P energy: -126.545 tors. eta vs tors. theta energy: -247.107 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: 305 Temperature: 1.000000 Total energy: -2805.541182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.541182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.541182 (E_RNA) where: Base-Base interactions energy: -1933.893 where: short stacking energy: -796.653 Base-Backbone interact. energy: -4.548 local terms energy: -867.100942 where: bonds (distance) C4'-P energy: -156.524 bonds (distance) P-C4' energy: -167.651 flat angles C4'-P-C4' energy: -193.417 flat angles P-C4'-P energy: -121.133 tors. eta vs tors. theta energy: -228.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2548.744937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.744937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.744937 (E_RNA) where: Base-Base interactions energy: -1718.005 where: short stacking energy: -732.073 Base-Backbone interact. energy: -2.769 local terms energy: -827.971547 where: bonds (distance) C4'-P energy: -155.146 bonds (distance) P-C4' energy: -165.726 flat angles C4'-P-C4' energy: -177.207 flat angles P-C4'-P energy: -127.784 tors. eta vs tors. theta energy: -202.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2324.379523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.379523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.379523 (E_RNA) where: Base-Base interactions energy: -1529.026 where: short stacking energy: -647.406 Base-Backbone interact. energy: 0.569 local terms energy: -795.922272 where: bonds (distance) C4'-P energy: -158.265 bonds (distance) P-C4' energy: -162.863 flat angles C4'-P-C4' energy: -181.332 flat angles P-C4'-P energy: -106.435 tors. eta vs tors. theta energy: -187.027 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: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2068.081078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.081078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.081078 (E_RNA) where: Base-Base interactions energy: -1332.339 where: short stacking energy: -559.984 Base-Backbone interact. energy: -5.498 local terms energy: -730.244224 where: bonds (distance) C4'-P energy: -162.442 bonds (distance) P-C4' energy: -167.055 flat angles C4'-P-C4' energy: -168.433 flat angles P-C4'-P energy: -97.549 tors. eta vs tors. theta energy: -134.765 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: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1647.568350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.568350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.568350 (E_RNA) where: Base-Base interactions energy: -1019.833 where: short stacking energy: -455.222 Base-Backbone interact. energy: 2.103 local terms energy: -629.838668 where: bonds (distance) C4'-P energy: -132.576 bonds (distance) P-C4' energy: -153.930 flat angles C4'-P-C4' energy: -147.852 flat angles P-C4'-P energy: -103.048 tors. eta vs tors. theta energy: -92.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1144.526219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.526219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.526219 (E_RNA) where: Base-Base interactions energy: -581.912 where: short stacking energy: -309.862 Base-Backbone interact. energy: -1.355 local terms energy: -561.259370 where: bonds (distance) C4'-P energy: -126.618 bonds (distance) P-C4' energy: -155.307 flat angles C4'-P-C4' energy: -153.810 flat angles P-C4'-P energy: -89.047 tors. eta vs tors. theta energy: -36.477 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: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -839.263732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.263732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.263732 (E_RNA) where: Base-Base interactions energy: -391.848 where: short stacking energy: -227.861 Base-Backbone interact. energy: -1.083 local terms energy: -446.332850 where: bonds (distance) C4'-P energy: -144.260 bonds (distance) P-C4' energy: -154.698 flat angles C4'-P-C4' energy: -118.887 flat angles P-C4'-P energy: -57.913 tors. eta vs tors. theta energy: 29.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -699.690886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.690886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.690886 (E_RNA) where: Base-Base interactions energy: -235.875 where: short stacking energy: -167.577 Base-Backbone interact. energy: -3.118 local terms energy: -460.697690 where: bonds (distance) C4'-P energy: -165.414 bonds (distance) P-C4' energy: -150.907 flat angles C4'-P-C4' energy: -121.535 flat angles P-C4'-P energy: -65.255 tors. eta vs tors. theta energy: 42.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3138.105485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.105485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.105485 (E_RNA) where: Base-Base interactions energy: -2173.880 where: short stacking energy: -921.035 Base-Backbone interact. energy: 0.561 local terms energy: -964.786680 where: bonds (distance) C4'-P energy: -181.134 bonds (distance) P-C4' energy: -176.606 flat angles C4'-P-C4' energy: -207.478 flat angles P-C4'-P energy: -125.858 tors. eta vs tors. theta energy: -273.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2988.868052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.868052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.868052 (E_RNA) where: Base-Base interactions energy: -2047.380 where: short stacking energy: -852.396 Base-Backbone interact. energy: -2.461 local terms energy: -939.027480 where: bonds (distance) C4'-P energy: -175.240 bonds (distance) P-C4' energy: -184.778 flat angles C4'-P-C4' energy: -208.543 flat angles P-C4'-P energy: -130.874 tors. eta vs tors. theta energy: -239.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2845.457048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.457048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.457048 (E_RNA) where: Base-Base interactions energy: -1972.523 where: short stacking energy: -795.590 Base-Backbone interact. energy: -3.101 local terms energy: -869.833827 where: bonds (distance) C4'-P energy: -179.685 bonds (distance) P-C4' energy: -156.074 flat angles C4'-P-C4' energy: -181.982 flat angles P-C4'-P energy: -126.391 tors. eta vs tors. theta energy: -225.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2588.113222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.113222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.113222 (E_RNA) where: Base-Base interactions energy: -1755.697 where: short stacking energy: -736.864 Base-Backbone interact. energy: -7.264 local terms energy: -825.151997 where: bonds (distance) C4'-P energy: -162.717 bonds (distance) P-C4' energy: -156.152 flat angles C4'-P-C4' energy: -192.018 flat angles P-C4'-P energy: -112.621 tors. eta vs tors. theta energy: -201.644 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: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2222.016651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.016651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.016651 (E_RNA) where: Base-Base interactions energy: -1481.686 where: short stacking energy: -650.258 Base-Backbone interact. energy: 2.173 local terms energy: -742.503017 where: bonds (distance) C4'-P energy: -162.687 bonds (distance) P-C4' energy: -156.519 flat angles C4'-P-C4' energy: -171.733 flat angles P-C4'-P energy: -94.539 tors. eta vs tors. theta energy: -157.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2132.166183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.166183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.166183 (E_RNA) where: Base-Base interactions energy: -1395.675 where: short stacking energy: -621.821 Base-Backbone interact. energy: 1.688 local terms energy: -738.178505 where: bonds (distance) C4'-P energy: -149.144 bonds (distance) P-C4' energy: -167.917 flat angles C4'-P-C4' energy: -150.697 flat angles P-C4'-P energy: -113.523 tors. eta vs tors. theta energy: -156.898 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: 7, replica: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1622.115504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.115504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.115504 (E_RNA) where: Base-Base interactions energy: -948.011 where: short stacking energy: -445.980 Base-Backbone interact. energy: -1.771 local terms energy: -672.333102 where: bonds (distance) C4'-P energy: -156.449 bonds (distance) P-C4' energy: -173.546 flat angles C4'-P-C4' energy: -160.334 flat angles P-C4'-P energy: -107.528 tors. eta vs tors. theta energy: -74.477 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: 8 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1109.458467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.458467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.458467 (E_RNA) where: Base-Base interactions energy: -588.676 where: short stacking energy: -302.402 Base-Backbone interact. energy: -1.617 local terms energy: -519.165223 where: bonds (distance) C4'-P energy: -153.731 bonds (distance) P-C4' energy: -159.367 flat angles C4'-P-C4' energy: -130.844 flat angles P-C4'-P energy: -64.380 tors. eta vs tors. theta energy: -10.843 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: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -876.267967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.267967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.267967 (E_RNA) where: Base-Base interactions energy: -387.713 where: short stacking energy: -240.603 Base-Backbone interact. energy: 7.643 local terms energy: -496.198389 where: bonds (distance) C4'-P energy: -132.062 bonds (distance) P-C4' energy: -149.598 flat angles C4'-P-C4' energy: -140.305 flat angles P-C4'-P energy: -81.377 tors. eta vs tors. theta energy: 7.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -658.454081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.454081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.454081 (E_RNA) where: Base-Base interactions energy: -254.366 where: short stacking energy: -215.091 Base-Backbone interact. energy: -2.131 local terms energy: -401.957144 where: bonds (distance) C4'-P energy: -101.604 bonds (distance) P-C4' energy: -145.906 flat angles C4'-P-C4' energy: -101.626 flat angles P-C4'-P energy: -77.019 tors. eta vs tors. theta energy: 24.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3122.790561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.790561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.790561 (E_RNA) where: Base-Base interactions energy: -2177.293 where: short stacking energy: -880.812 Base-Backbone interact. energy: 3.960 local terms energy: -949.457723 where: bonds (distance) C4'-P energy: -180.948 bonds (distance) P-C4' energy: -179.057 flat angles C4'-P-C4' energy: -211.094 flat angles P-C4'-P energy: -110.620 tors. eta vs tors. theta energy: -267.740 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: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2993.923138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.923138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.923138 (E_RNA) where: Base-Base interactions energy: -2045.767 where: short stacking energy: -849.984 Base-Backbone interact. energy: -4.911 local terms energy: -943.244619 where: bonds (distance) C4'-P energy: -191.812 bonds (distance) P-C4' energy: -179.362 flat angles C4'-P-C4' energy: -202.416 flat angles P-C4'-P energy: -122.011 tors. eta vs tors. theta energy: -247.644 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: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2805.908853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.908853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.908853 (E_RNA) where: Base-Base interactions energy: -1965.560 where: short stacking energy: -776.728 Base-Backbone interact. energy: -3.007 local terms energy: -837.342324 where: bonds (distance) C4'-P energy: -172.638 bonds (distance) P-C4' energy: -152.860 flat angles C4'-P-C4' energy: -180.762 flat angles P-C4'-P energy: -127.340 tors. eta vs tors. theta energy: -203.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2580.651788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.651788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.651788 (E_RNA) where: Base-Base interactions energy: -1711.913 where: short stacking energy: -716.760 Base-Backbone interact. energy: 0.395 local terms energy: -869.134075 where: bonds (distance) C4'-P energy: -171.811 bonds (distance) P-C4' energy: -178.121 flat angles C4'-P-C4' energy: -167.563 flat angles P-C4'-P energy: -136.406 tors. eta vs tors. theta energy: -215.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2312.098631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.098631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.098631 (E_RNA) where: Base-Base interactions energy: -1515.903 where: short stacking energy: -654.514 Base-Backbone interact. energy: -4.614 local terms energy: -791.582089 where: bonds (distance) C4'-P energy: -142.478 bonds (distance) P-C4' energy: -171.413 flat angles C4'-P-C4' energy: -198.608 flat angles P-C4'-P energy: -115.900 tors. eta vs tors. theta energy: -163.184 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: 307 Temperature: 1.150000 Total energy: -2026.031618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.031618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.031618 (E_RNA) where: Base-Base interactions energy: -1294.663 where: short stacking energy: -560.193 Base-Backbone interact. energy: -2.265 local terms energy: -729.103034 where: bonds (distance) C4'-P energy: -157.123 bonds (distance) P-C4' energy: -170.415 flat angles C4'-P-C4' energy: -166.231 flat angles P-C4'-P energy: -94.885 tors. eta vs tors. theta energy: -140.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1642.153838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.153838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.153838 (E_RNA) where: Base-Base interactions energy: -999.059 where: short stacking energy: -429.140 Base-Backbone interact. energy: 4.550 local terms energy: -647.644562 where: bonds (distance) C4'-P energy: -163.985 bonds (distance) P-C4' energy: -145.823 flat angles C4'-P-C4' energy: -170.994 flat angles P-C4'-P energy: -97.208 tors. eta vs tors. theta energy: -69.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1143.838417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.838417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.838417 (E_RNA) where: Base-Base interactions energy: -609.595 where: short stacking energy: -322.322 Base-Backbone interact. energy: 2.639 local terms energy: -536.882244 where: bonds (distance) C4'-P energy: -148.563 bonds (distance) P-C4' energy: -139.191 flat angles C4'-P-C4' energy: -132.436 flat angles P-C4'-P energy: -85.886 tors. eta vs tors. theta energy: -30.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -844.395418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.395418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.395418 (E_RNA) where: Base-Base interactions energy: -366.156 where: short stacking energy: -233.936 Base-Backbone interact. energy: 6.270 local terms energy: -484.508837 where: bonds (distance) C4'-P energy: -144.711 bonds (distance) P-C4' energy: -165.819 flat angles C4'-P-C4' energy: -123.170 flat angles P-C4'-P energy: -68.119 tors. eta vs tors. theta energy: 17.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -670.931507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.931507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.931507 (E_RNA) where: Base-Base interactions energy: -259.377 where: short stacking energy: -175.669 Base-Backbone interact. energy: -3.778 local terms energy: -407.776964 where: bonds (distance) C4'-P energy: -140.225 bonds (distance) P-C4' energy: -134.910 flat angles C4'-P-C4' energy: -115.095 flat angles P-C4'-P energy: -73.623 tors. eta vs tors. theta energy: 56.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3129.110225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.110225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.110225 (E_RNA) where: Base-Base interactions energy: -2149.488 where: short stacking energy: -890.651 Base-Backbone interact. energy: 2.124 local terms energy: -981.745795 where: bonds (distance) C4'-P energy: -167.289 bonds (distance) P-C4' energy: -192.657 flat angles C4'-P-C4' energy: -221.187 flat angles P-C4'-P energy: -131.273 tors. eta vs tors. theta energy: -269.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2981.094086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.094086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.094086 (E_RNA) where: Base-Base interactions energy: -2016.054 where: short stacking energy: -845.367 Base-Backbone interact. energy: -4.520 local terms energy: -960.519687 where: bonds (distance) C4'-P energy: -179.707 bonds (distance) P-C4' energy: -190.494 flat angles C4'-P-C4' energy: -196.111 flat angles P-C4'-P energy: -141.706 tors. eta vs tors. theta energy: -252.502 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: 308 Temperature: 1.000000 Total energy: -2804.361089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.361089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.361089 (E_RNA) where: Base-Base interactions energy: -1905.711 where: short stacking energy: -783.192 Base-Backbone interact. energy: -6.755 local terms energy: -891.895193 where: bonds (distance) C4'-P energy: -173.504 bonds (distance) P-C4' energy: -183.979 flat angles C4'-P-C4' energy: -200.092 flat angles P-C4'-P energy: -115.933 tors. eta vs tors. theta energy: -218.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2603.682915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.682915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.682915 (E_RNA) where: Base-Base interactions energy: -1727.574 where: short stacking energy: -723.559 Base-Backbone interact. energy: -1.759 local terms energy: -874.350233 where: bonds (distance) C4'-P energy: -177.735 bonds (distance) P-C4' energy: -185.112 flat angles C4'-P-C4' energy: -181.056 flat angles P-C4'-P energy: -109.293 tors. eta vs tors. theta energy: -221.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2195.432471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.432471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.432471 (E_RNA) where: Base-Base interactions energy: -1465.651 where: short stacking energy: -626.723 Base-Backbone interact. energy: -2.801 local terms energy: -726.979795 where: bonds (distance) C4'-P energy: -151.868 bonds (distance) P-C4' energy: -133.709 flat angles C4'-P-C4' energy: -177.796 flat angles P-C4'-P energy: -118.577 tors. eta vs tors. theta energy: -145.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2060.362318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.362318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.362318 (E_RNA) where: Base-Base interactions energy: -1308.874 where: short stacking energy: -567.561 Base-Backbone interact. energy: -3.531 local terms energy: -747.957431 where: bonds (distance) C4'-P energy: -181.591 bonds (distance) P-C4' energy: -157.971 flat angles C4'-P-C4' energy: -178.388 flat angles P-C4'-P energy: -94.848 tors. eta vs tors. theta energy: -135.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1712.409891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.409891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.409891 (E_RNA) where: Base-Base interactions energy: -1067.435 where: short stacking energy: -490.859 Base-Backbone interact. energy: 2.656 local terms energy: -647.630710 where: bonds (distance) C4'-P energy: -146.795 bonds (distance) P-C4' energy: -137.067 flat angles C4'-P-C4' energy: -173.331 flat angles P-C4'-P energy: -95.594 tors. eta vs tors. theta energy: -94.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1157.399670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.399670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.399670 (E_RNA) where: Base-Base interactions energy: -605.570 where: short stacking energy: -304.736 Base-Backbone interact. energy: -0.817 local terms energy: -551.012888 where: bonds (distance) C4'-P energy: -159.761 bonds (distance) P-C4' energy: -135.196 flat angles C4'-P-C4' energy: -134.510 flat angles P-C4'-P energy: -100.995 tors. eta vs tors. theta energy: -20.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -900.868066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.868066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.868066 (E_RNA) where: Base-Base interactions energy: -399.709 where: short stacking energy: -248.647 Base-Backbone interact. energy: 9.517 local terms energy: -510.675846 where: bonds (distance) C4'-P energy: -126.430 bonds (distance) P-C4' energy: -162.170 flat angles C4'-P-C4' energy: -124.101 flat angles P-C4'-P energy: -97.622 tors. eta vs tors. theta energy: -0.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -698.118312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.118312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.118312 (E_RNA) where: Base-Base interactions energy: -269.260 where: short stacking energy: -184.358 Base-Backbone interact. energy: 1.286 local terms energy: -430.144569 where: bonds (distance) C4'-P energy: -127.721 bonds (distance) P-C4' energy: -159.605 flat angles C4'-P-C4' energy: -144.390 flat angles P-C4'-P energy: -27.486 tors. eta vs tors. theta energy: 29.058 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: 1, replica: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3145.409134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.409134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.409134 (E_RNA) where: Base-Base interactions energy: -2188.267 where: short stacking energy: -911.037 Base-Backbone interact. energy: 1.353 local terms energy: -958.495670 where: bonds (distance) C4'-P energy: -168.797 bonds (distance) P-C4' energy: -176.840 flat angles C4'-P-C4' energy: -212.016 flat angles P-C4'-P energy: -133.586 tors. eta vs tors. theta energy: -267.256 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: 2, replica: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2946.840627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.840627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.840627 (E_RNA) where: Base-Base interactions energy: -2047.850 where: short stacking energy: -851.765 Base-Backbone interact. energy: -0.718 local terms energy: -898.271767 where: bonds (distance) C4'-P energy: -156.940 bonds (distance) P-C4' energy: -169.930 flat angles C4'-P-C4' energy: -211.814 flat angles P-C4'-P energy: -123.173 tors. eta vs tors. theta energy: -236.415 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: 3, replica: 6 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2812.263860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.263860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.263860 (E_RNA) where: Base-Base interactions energy: -1897.741 where: short stacking energy: -774.044 Base-Backbone interact. energy: -5.764 local terms energy: -908.758936 where: bonds (distance) C4'-P energy: -170.531 bonds (distance) P-C4' energy: -181.561 flat angles C4'-P-C4' energy: -191.906 flat angles P-C4'-P energy: -122.033 tors. eta vs tors. theta energy: -242.728 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: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2562.672691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.672691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.672691 (E_RNA) where: Base-Base interactions energy: -1722.535 where: short stacking energy: -737.677 Base-Backbone interact. energy: -2.981 local terms energy: -837.156853 where: bonds (distance) C4'-P energy: -147.994 bonds (distance) P-C4' energy: -164.010 flat angles C4'-P-C4' energy: -189.722 flat angles P-C4'-P energy: -118.093 tors. eta vs tors. theta energy: -217.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2245.360806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.360806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.360806 (E_RNA) where: Base-Base interactions energy: -1464.440 where: short stacking energy: -651.343 Base-Backbone interact. energy: -3.278 local terms energy: -777.642771 where: bonds (distance) C4'-P energy: -159.334 bonds (distance) P-C4' energy: -175.220 flat angles C4'-P-C4' energy: -166.380 flat angles P-C4'-P energy: -112.810 tors. eta vs tors. theta energy: -163.900 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: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2067.496425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.496425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.496425 (E_RNA) where: Base-Base interactions energy: -1337.502 where: short stacking energy: -596.149 Base-Backbone interact. energy: -1.451 local terms energy: -728.543092 where: bonds (distance) C4'-P energy: -150.211 bonds (distance) P-C4' energy: -148.946 flat angles C4'-P-C4' energy: -171.758 flat angles P-C4'-P energy: -104.734 tors. eta vs tors. theta energy: -152.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1725.577133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.577133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.577133 (E_RNA) where: Base-Base interactions energy: -1052.494 where: short stacking energy: -464.364 Base-Backbone interact. energy: 5.077 local terms energy: -678.160157 where: bonds (distance) C4'-P energy: -137.043 bonds (distance) P-C4' energy: -172.026 flat angles C4'-P-C4' energy: -159.534 flat angles P-C4'-P energy: -112.324 tors. eta vs tors. theta energy: -97.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1108.088971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.088971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.088971 (E_RNA) where: Base-Base interactions energy: -569.667 where: short stacking energy: -299.945 Base-Backbone interact. energy: 1.366 local terms energy: -539.787887 where: bonds (distance) C4'-P energy: -146.686 bonds (distance) P-C4' energy: -155.290 flat angles C4'-P-C4' energy: -147.527 flat angles P-C4'-P energy: -83.911 tors. eta vs tors. theta energy: -6.375 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: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -878.098544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.098544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.098544 (E_RNA) where: Base-Base interactions energy: -365.168 where: short stacking energy: -223.899 Base-Backbone interact. energy: 0.960 local terms energy: -513.891304 where: bonds (distance) C4'-P energy: -173.634 bonds (distance) P-C4' energy: -168.044 flat angles C4'-P-C4' energy: -120.495 flat angles P-C4'-P energy: -71.936 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: 10, replica: 5 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -664.059752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.059752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.059752 (E_RNA) where: Base-Base interactions energy: -196.082 where: short stacking energy: -168.455 Base-Backbone interact. energy: -0.549 local terms energy: -467.428817 where: bonds (distance) C4'-P energy: -147.323 bonds (distance) P-C4' energy: -159.556 flat angles C4'-P-C4' energy: -122.549 flat angles P-C4'-P energy: -69.799 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: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3134.397479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.397479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.397479 (E_RNA) where: Base-Base interactions energy: -2174.917 where: short stacking energy: -897.738 Base-Backbone interact. energy: -1.193 local terms energy: -958.287538 where: bonds (distance) C4'-P energy: -189.827 bonds (distance) P-C4' energy: -186.963 flat angles C4'-P-C4' energy: -208.616 flat angles P-C4'-P energy: -109.680 tors. eta vs tors. theta energy: -263.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2994.338106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.338106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.338106 (E_RNA) where: Base-Base interactions energy: -1996.053 where: short stacking energy: -828.318 Base-Backbone interact. energy: -5.953 local terms energy: -992.332107 where: bonds (distance) C4'-P energy: -177.415 bonds (distance) P-C4' energy: -185.877 flat angles C4'-P-C4' energy: -228.770 flat angles P-C4'-P energy: -138.932 tors. eta vs tors. theta energy: -261.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2832.853922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.853922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.853922 (E_RNA) where: Base-Base interactions energy: -1938.639 where: short stacking energy: -775.619 Base-Backbone interact. energy: -1.394 local terms energy: -892.820538 where: bonds (distance) C4'-P energy: -183.081 bonds (distance) P-C4' energy: -170.549 flat angles C4'-P-C4' energy: -183.446 flat angles P-C4'-P energy: -123.083 tors. eta vs tors. theta energy: -232.662 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: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2596.571713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.571713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.571713 (E_RNA) where: Base-Base interactions energy: -1744.014 where: short stacking energy: -779.323 Base-Backbone interact. energy: -3.343 local terms energy: -849.215127 where: bonds (distance) C4'-P energy: -155.973 bonds (distance) P-C4' energy: -160.841 flat angles C4'-P-C4' energy: -167.146 flat angles P-C4'-P energy: -121.064 tors. eta vs tors. theta energy: -244.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2243.440128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.440128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.440128 (E_RNA) where: Base-Base interactions energy: -1480.949 where: short stacking energy: -632.273 Base-Backbone interact. energy: -0.489 local terms energy: -762.001831 where: bonds (distance) C4'-P energy: -158.243 bonds (distance) P-C4' energy: -157.477 flat angles C4'-P-C4' energy: -179.280 flat angles P-C4'-P energy: -88.870 tors. eta vs tors. theta energy: -178.132 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: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2034.115569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.115569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.115569 (E_RNA) where: Base-Base interactions energy: -1283.065 where: short stacking energy: -591.974 Base-Backbone interact. energy: -0.447 local terms energy: -750.603532 where: bonds (distance) C4'-P energy: -148.364 bonds (distance) P-C4' energy: -153.246 flat angles C4'-P-C4' energy: -188.373 flat angles P-C4'-P energy: -110.700 tors. eta vs tors. theta energy: -149.921 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: 2 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1666.634394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.634394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.634394 (E_RNA) where: Base-Base interactions energy: -1011.375 where: short stacking energy: -489.594 Base-Backbone interact. energy: -2.105 local terms energy: -653.154445 where: bonds (distance) C4'-P energy: -147.738 bonds (distance) P-C4' energy: -162.276 flat angles C4'-P-C4' energy: -145.015 flat angles P-C4'-P energy: -102.190 tors. eta vs tors. theta energy: -95.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1155.916352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.916352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.916352 (E_RNA) where: Base-Base interactions energy: -597.012 where: short stacking energy: -294.417 Base-Backbone interact. energy: 1.494 local terms energy: -560.398862 where: bonds (distance) C4'-P energy: -163.254 bonds (distance) P-C4' energy: -139.654 flat angles C4'-P-C4' energy: -148.321 flat angles P-C4'-P energy: -91.441 tors. eta vs tors. theta energy: -17.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -876.452695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.452695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.452695 (E_RNA) where: Base-Base interactions energy: -389.447 where: short stacking energy: -223.985 Base-Backbone interact. energy: 1.137 local terms energy: -488.142871 where: bonds (distance) C4'-P energy: -130.520 bonds (distance) P-C4' energy: -169.874 flat angles C4'-P-C4' energy: -138.245 flat angles P-C4'-P energy: -73.653 tors. eta vs tors. theta energy: 24.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -690.872964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.872964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.872964 (E_RNA) where: Base-Base interactions energy: -227.355 where: short stacking energy: -160.543 Base-Backbone interact. energy: 0.096 local terms energy: -463.614208 where: bonds (distance) C4'-P energy: -141.300 bonds (distance) P-C4' energy: -172.895 flat angles C4'-P-C4' energy: -129.340 flat angles P-C4'-P energy: -53.162 tors. eta vs tors. theta energy: 33.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3113.820414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.820414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.820414 (E_RNA) where: Base-Base interactions energy: -2139.951 where: short stacking energy: -893.595 Base-Backbone interact. energy: -0.989 local terms energy: -972.880301 where: bonds (distance) C4'-P energy: -179.610 bonds (distance) P-C4' energy: -198.348 flat angles C4'-P-C4' energy: -202.877 flat angles P-C4'-P energy: -121.669 tors. eta vs tors. theta energy: -270.376 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: 7 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -3008.426820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.426820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.426820 (E_RNA) where: Base-Base interactions energy: -2074.583 where: short stacking energy: -835.478 Base-Backbone interact. energy: -7.111 local terms energy: -926.732724 where: bonds (distance) C4'-P energy: -161.184 bonds (distance) P-C4' energy: -163.486 flat angles C4'-P-C4' energy: -211.545 flat angles P-C4'-P energy: -127.918 tors. eta vs tors. theta energy: -262.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2805.153249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.153249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.153249 (E_RNA) where: Base-Base interactions energy: -1939.182 where: short stacking energy: -751.184 Base-Backbone interact. energy: -0.703 local terms energy: -865.268676 where: bonds (distance) C4'-P energy: -149.630 bonds (distance) P-C4' energy: -179.877 flat angles C4'-P-C4' energy: -185.523 flat angles P-C4'-P energy: -125.479 tors. eta vs tors. theta energy: -224.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2570.715403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.715403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.715403 (E_RNA) where: Base-Base interactions energy: -1708.107 where: short stacking energy: -744.014 Base-Backbone interact. energy: -3.276 local terms energy: -859.332056 where: bonds (distance) C4'-P energy: -173.279 bonds (distance) P-C4' energy: -174.439 flat angles C4'-P-C4' energy: -191.280 flat angles P-C4'-P energy: -105.196 tors. eta vs tors. theta energy: -215.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2184.927441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.927441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.927441 (E_RNA) where: Base-Base interactions energy: -1418.698 where: short stacking energy: -628.582 Base-Backbone interact. energy: -0.141 local terms energy: -766.088050 where: bonds (distance) C4'-P energy: -156.890 bonds (distance) P-C4' energy: -158.614 flat angles C4'-P-C4' energy: -177.840 flat angles P-C4'-P energy: -103.186 tors. eta vs tors. theta energy: -169.559 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: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2059.249115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.249115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.249115 (E_RNA) where: Base-Base interactions energy: -1348.260 where: short stacking energy: -577.820 Base-Backbone interact. energy: -3.342 local terms energy: -707.647435 where: bonds (distance) C4'-P energy: -151.183 bonds (distance) P-C4' energy: -146.137 flat angles C4'-P-C4' energy: -165.195 flat angles P-C4'-P energy: -102.390 tors. eta vs tors. theta energy: -142.743 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: 2 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1709.032768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.032768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.032768 (E_RNA) where: Base-Base interactions energy: -1051.807 where: short stacking energy: -494.591 Base-Backbone interact. energy: 4.623 local terms energy: -661.849080 where: bonds (distance) C4'-P energy: -117.651 bonds (distance) P-C4' energy: -162.372 flat angles C4'-P-C4' energy: -148.220 flat angles P-C4'-P energy: -98.768 tors. eta vs tors. theta energy: -134.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1143.817180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.817180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.817180 (E_RNA) where: Base-Base interactions energy: -595.850 where: short stacking energy: -341.732 Base-Backbone interact. energy: 1.345 local terms energy: -549.312602 where: bonds (distance) C4'-P energy: -137.021 bonds (distance) P-C4' energy: -158.621 flat angles C4'-P-C4' energy: -128.759 flat angles P-C4'-P energy: -87.631 tors. eta vs tors. theta energy: -37.280 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: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -956.115639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.115639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.115639 (E_RNA) where: Base-Base interactions energy: -453.897 where: short stacking energy: -259.726 Base-Backbone interact. energy: 3.098 local terms energy: -505.316128 where: bonds (distance) C4'-P energy: -139.820 bonds (distance) P-C4' energy: -146.690 flat angles C4'-P-C4' energy: -132.140 flat angles P-C4'-P energy: -79.077 tors. eta vs tors. theta energy: -7.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -626.687099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.687099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.687099 (E_RNA) where: Base-Base interactions energy: -173.554 where: short stacking energy: -145.226 Base-Backbone interact. energy: 3.872 local terms energy: -457.005267 where: bonds (distance) C4'-P energy: -130.169 bonds (distance) P-C4' energy: -170.832 flat angles C4'-P-C4' energy: -131.974 flat angles P-C4'-P energy: -76.925 tors. eta vs tors. theta energy: 52.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3103.052302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.052302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.052302 (E_RNA) where: Base-Base interactions energy: -2129.050 where: short stacking energy: -887.677 Base-Backbone interact. energy: -2.548 local terms energy: -971.454987 where: bonds (distance) C4'-P energy: -179.939 bonds (distance) P-C4' energy: -195.281 flat angles C4'-P-C4' energy: -212.107 flat angles P-C4'-P energy: -120.848 tors. eta vs tors. theta energy: -263.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -3018.546938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.546938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.546938 (E_RNA) where: Base-Base interactions energy: -2055.404 where: short stacking energy: -840.666 Base-Backbone interact. energy: 1.147 local terms energy: -964.289491 where: bonds (distance) C4'-P energy: -169.256 bonds (distance) P-C4' energy: -186.200 flat angles C4'-P-C4' energy: -208.724 flat angles P-C4'-P energy: -133.352 tors. eta vs tors. theta energy: -266.757 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: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2764.745725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.745725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.745725 (E_RNA) where: Base-Base interactions energy: -1852.582 where: short stacking energy: -759.183 Base-Backbone interact. energy: -5.385 local terms energy: -906.778901 where: bonds (distance) C4'-P energy: -180.533 bonds (distance) P-C4' energy: -163.205 flat angles C4'-P-C4' energy: -188.497 flat angles P-C4'-P energy: -136.932 tors. eta vs tors. theta energy: -237.612 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: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2564.612500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.612500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.612500 (E_RNA) where: Base-Base interactions energy: -1747.596 where: short stacking energy: -724.339 Base-Backbone interact. energy: 1.981 local terms energy: -818.997719 where: bonds (distance) C4'-P energy: -150.415 bonds (distance) P-C4' energy: -168.838 flat angles C4'-P-C4' energy: -175.595 flat angles P-C4'-P energy: -116.214 tors. eta vs tors. theta energy: -207.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2177.046363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.046363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.046363 (E_RNA) where: Base-Base interactions energy: -1427.926 where: short stacking energy: -613.002 Base-Backbone interact. energy: 0.027 local terms energy: -749.147524 where: bonds (distance) C4'-P energy: -118.698 bonds (distance) P-C4' energy: -169.191 flat angles C4'-P-C4' energy: -185.330 flat angles P-C4'-P energy: -121.468 tors. eta vs tors. theta energy: -154.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2053.874201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.874201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.874201 (E_RNA) where: Base-Base interactions energy: -1330.117 where: short stacking energy: -583.013 Base-Backbone interact. energy: -4.265 local terms energy: -719.492811 where: bonds (distance) C4'-P energy: -146.158 bonds (distance) P-C4' energy: -154.766 flat angles C4'-P-C4' energy: -149.366 flat angles P-C4'-P energy: -107.340 tors. eta vs tors. theta energy: -161.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1686.639573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.639573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.639573 (E_RNA) where: Base-Base interactions energy: -1027.133 where: short stacking energy: -489.086 Base-Backbone interact. energy: 7.633 local terms energy: -667.139507 where: bonds (distance) C4'-P energy: -149.068 bonds (distance) P-C4' energy: -157.975 flat angles C4'-P-C4' energy: -155.628 flat angles P-C4'-P energy: -97.554 tors. eta vs tors. theta energy: -106.915 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: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1187.340938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.340938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.340938 (E_RNA) where: Base-Base interactions energy: -643.123 where: short stacking energy: -308.522 Base-Backbone interact. energy: 4.203 local terms energy: -548.421334 where: bonds (distance) C4'-P energy: -133.191 bonds (distance) P-C4' energy: -155.175 flat angles C4'-P-C4' energy: -139.864 flat angles P-C4'-P energy: -100.993 tors. eta vs tors. theta energy: -19.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -918.307966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.307966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.307966 (E_RNA) where: Base-Base interactions energy: -446.979 where: short stacking energy: -250.127 Base-Backbone interact. energy: 3.791 local terms energy: -475.119819 where: bonds (distance) C4'-P energy: -140.499 bonds (distance) P-C4' energy: -153.010 flat angles C4'-P-C4' energy: -129.525 flat angles P-C4'-P energy: -63.975 tors. eta vs tors. theta energy: 11.888 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: 5 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -642.641421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.641421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.641421 (E_RNA) where: Base-Base interactions energy: -209.411 where: short stacking energy: -175.163 Base-Backbone interact. energy: -0.351 local terms energy: -432.879992 where: bonds (distance) C4'-P energy: -138.285 bonds (distance) P-C4' energy: -142.508 flat angles C4'-P-C4' energy: -126.998 flat angles P-C4'-P energy: -54.235 tors. eta vs tors. theta energy: 29.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3121.115847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.115847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.115847 (E_RNA) where: Base-Base interactions energy: -2138.375 where: short stacking energy: -876.805 Base-Backbone interact. energy: -0.481 local terms energy: -982.260152 where: bonds (distance) C4'-P energy: -186.890 bonds (distance) P-C4' energy: -187.383 flat angles C4'-P-C4' energy: -213.375 flat angles P-C4'-P energy: -134.445 tors. eta vs tors. theta energy: -260.168 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: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -3047.485233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.485233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.485233 (E_RNA) where: Base-Base interactions energy: -2070.515 where: short stacking energy: -844.368 Base-Backbone interact. energy: 1.327 local terms energy: -978.297657 where: bonds (distance) C4'-P energy: -170.849 bonds (distance) P-C4' energy: -191.175 flat angles C4'-P-C4' energy: -214.298 flat angles P-C4'-P energy: -139.607 tors. eta vs tors. theta energy: -262.368 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: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2728.657593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.657593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.657593 (E_RNA) where: Base-Base interactions energy: -1865.565 where: short stacking energy: -757.610 Base-Backbone interact. energy: -4.621 local terms energy: -858.471456 where: bonds (distance) C4'-P energy: -143.081 bonds (distance) P-C4' energy: -188.558 flat angles C4'-P-C4' energy: -193.048 flat angles P-C4'-P energy: -136.640 tors. eta vs tors. theta energy: -197.144 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: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2545.177107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.177107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.177107 (E_RNA) where: Base-Base interactions energy: -1682.817 where: short stacking energy: -715.928 Base-Backbone interact. energy: 1.244 local terms energy: -863.604454 where: bonds (distance) C4'-P energy: -159.047 bonds (distance) P-C4' energy: -189.481 flat angles C4'-P-C4' energy: -183.330 flat angles P-C4'-P energy: -128.946 tors. eta vs tors. theta energy: -202.801 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: 5, replica: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2280.503914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.503914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.503914 (E_RNA) where: Base-Base interactions energy: -1494.339 where: short stacking energy: -637.674 Base-Backbone interact. energy: -1.514 local terms energy: -784.651277 where: bonds (distance) C4'-P energy: -161.144 bonds (distance) P-C4' energy: -160.827 flat angles C4'-P-C4' energy: -168.589 flat angles P-C4'-P energy: -118.954 tors. eta vs tors. theta energy: -175.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2096.090869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.090869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.090869 (E_RNA) where: Base-Base interactions energy: -1355.730 where: short stacking energy: -593.570 Base-Backbone interact. energy: 2.492 local terms energy: -742.852618 where: bonds (distance) C4'-P energy: -148.917 bonds (distance) P-C4' energy: -155.837 flat angles C4'-P-C4' energy: -179.216 flat angles P-C4'-P energy: -101.743 tors. eta vs tors. theta energy: -157.139 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: 2 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1704.853114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.853114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.853114 (E_RNA) where: Base-Base interactions energy: -1041.005 where: short stacking energy: -483.363 Base-Backbone interact. energy: 4.490 local terms energy: -668.337823 where: bonds (distance) C4'-P energy: -141.276 bonds (distance) P-C4' energy: -163.763 flat angles C4'-P-C4' energy: -164.248 flat angles P-C4'-P energy: -103.773 tors. eta vs tors. theta energy: -95.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1160.955508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.955508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.955508 (E_RNA) where: Base-Base interactions energy: -612.666 where: short stacking energy: -338.642 Base-Backbone interact. energy: -4.769 local terms energy: -543.520940 where: bonds (distance) C4'-P energy: -119.825 bonds (distance) P-C4' energy: -146.045 flat angles C4'-P-C4' energy: -150.440 flat angles P-C4'-P energy: -93.334 tors. eta vs tors. theta energy: -33.877 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: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -924.545898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.545898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.545898 (E_RNA) where: Base-Base interactions energy: -457.461 where: short stacking energy: -271.572 Base-Backbone interact. energy: 2.149 local terms energy: -469.234677 where: bonds (distance) C4'-P energy: -127.208 bonds (distance) P-C4' energy: -154.332 flat angles C4'-P-C4' energy: -109.453 flat angles P-C4'-P energy: -82.117 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: 10, replica: 5 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -645.219447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.219447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.219447 (E_RNA) where: Base-Base interactions energy: -182.014 where: short stacking energy: -151.618 Base-Backbone interact. energy: -3.859 local terms energy: -459.346478 where: bonds (distance) C4'-P energy: -165.071 bonds (distance) P-C4' energy: -147.980 flat angles C4'-P-C4' energy: -118.120 flat angles P-C4'-P energy: -87.830 tors. eta vs tors. theta energy: 59.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3157.214155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.214155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.214155 (E_RNA) where: Base-Base interactions energy: -2167.096 where: short stacking energy: -892.469 Base-Backbone interact. energy: -5.683 local terms energy: -984.435431 where: bonds (distance) C4'-P energy: -178.067 bonds (distance) P-C4' energy: -190.439 flat angles C4'-P-C4' energy: -212.208 flat angles P-C4'-P energy: -143.443 tors. eta vs tors. theta energy: -260.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -3006.786862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.786862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.786862 (E_RNA) where: Base-Base interactions energy: -2076.878 where: short stacking energy: -835.918 Base-Backbone interact. energy: -5.664 local terms energy: -924.244677 where: bonds (distance) C4'-P energy: -168.931 bonds (distance) P-C4' energy: -169.404 flat angles C4'-P-C4' energy: -196.495 flat angles P-C4'-P energy: -130.536 tors. eta vs tors. theta energy: -258.879 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: 314 Temperature: 1.000000 Total energy: -2734.928349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.928349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.928349 (E_RNA) where: Base-Base interactions energy: -1845.996 where: short stacking energy: -747.000 Base-Backbone interact. energy: -1.455 local terms energy: -887.477372 where: bonds (distance) C4'-P energy: -164.956 bonds (distance) P-C4' energy: -184.196 flat angles C4'-P-C4' energy: -194.878 flat angles P-C4'-P energy: -130.875 tors. eta vs tors. theta energy: -212.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2567.216672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.216672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.216672 (E_RNA) where: Base-Base interactions energy: -1720.263 where: short stacking energy: -743.304 Base-Backbone interact. energy: -1.423 local terms energy: -845.531338 where: bonds (distance) C4'-P energy: -162.234 bonds (distance) P-C4' energy: -175.080 flat angles C4'-P-C4' energy: -172.015 flat angles P-C4'-P energy: -114.310 tors. eta vs tors. theta energy: -221.892 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: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2221.183050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.183050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.183050 (E_RNA) where: Base-Base interactions energy: -1438.515 where: short stacking energy: -638.815 Base-Backbone interact. energy: -1.221 local terms energy: -781.447438 where: bonds (distance) C4'-P energy: -149.122 bonds (distance) P-C4' energy: -169.580 flat angles C4'-P-C4' energy: -175.916 flat angles P-C4'-P energy: -109.476 tors. eta vs tors. theta energy: -177.353 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: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1982.913877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.913877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.913877 (E_RNA) where: Base-Base interactions energy: -1247.661 where: short stacking energy: -559.544 Base-Backbone interact. energy: -2.579 local terms energy: -732.674093 where: bonds (distance) C4'-P energy: -174.737 bonds (distance) P-C4' energy: -162.289 flat angles C4'-P-C4' energy: -165.691 flat angles P-C4'-P energy: -108.562 tors. eta vs tors. theta energy: -121.395 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: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1643.084658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.084658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.084658 (E_RNA) where: Base-Base interactions energy: -1009.217 where: short stacking energy: -495.375 Base-Backbone interact. energy: -2.962 local terms energy: -630.905632 where: bonds (distance) C4'-P energy: -143.796 bonds (distance) P-C4' energy: -162.310 flat angles C4'-P-C4' energy: -146.975 flat angles P-C4'-P energy: -89.356 tors. eta vs tors. theta energy: -88.469 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: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1178.688785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.688785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.688785 (E_RNA) where: Base-Base interactions energy: -621.471 where: short stacking energy: -301.778 Base-Backbone interact. energy: 5.172 local terms energy: -562.388911 where: bonds (distance) C4'-P energy: -162.960 bonds (distance) P-C4' energy: -150.899 flat angles C4'-P-C4' energy: -138.642 flat angles P-C4'-P energy: -89.322 tors. eta vs tors. theta energy: -20.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -976.251740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.251740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.251740 (E_RNA) where: Base-Base interactions energy: -484.598 where: short stacking energy: -250.091 Base-Backbone interact. energy: 1.703 local terms energy: -493.357122 where: bonds (distance) C4'-P energy: -137.619 bonds (distance) P-C4' energy: -149.208 flat angles C4'-P-C4' energy: -128.791 flat angles P-C4'-P energy: -77.149 tors. eta vs tors. theta energy: -0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -664.356213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.356213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.356213 (E_RNA) where: Base-Base interactions energy: -214.607 where: short stacking energy: -186.082 Base-Backbone interact. energy: 0.947 local terms energy: -450.696391 where: bonds (distance) C4'-P energy: -142.008 bonds (distance) P-C4' energy: -133.335 flat angles C4'-P-C4' energy: -120.735 flat angles P-C4'-P energy: -87.903 tors. eta vs tors. theta energy: 33.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3138.119501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.119501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.119501 (E_RNA) where: Base-Base interactions energy: -2144.501 where: short stacking energy: -900.790 Base-Backbone interact. energy: -3.413 local terms energy: -990.204931 where: bonds (distance) C4'-P energy: -179.643 bonds (distance) P-C4' energy: -192.350 flat angles C4'-P-C4' energy: -215.936 flat angles P-C4'-P energy: -145.492 tors. eta vs tors. theta energy: -256.784 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: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2993.800366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.800366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.800366 (E_RNA) where: Base-Base interactions energy: -2035.412 where: short stacking energy: -824.396 Base-Backbone interact. energy: -6.693 local terms energy: -951.694723 where: bonds (distance) C4'-P energy: -177.820 bonds (distance) P-C4' energy: -182.702 flat angles C4'-P-C4' energy: -206.185 flat angles P-C4'-P energy: -136.898 tors. eta vs tors. theta energy: -248.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2788.990019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.990019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.990019 (E_RNA) where: Base-Base interactions energy: -1904.199 where: short stacking energy: -776.571 Base-Backbone interact. energy: 1.028 local terms energy: -885.819378 where: bonds (distance) C4'-P energy: -157.142 bonds (distance) P-C4' energy: -173.046 flat angles C4'-P-C4' energy: -192.967 flat angles P-C4'-P energy: -124.677 tors. eta vs tors. theta energy: -237.986 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: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2577.508577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.508577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.508577 (E_RNA) where: Base-Base interactions energy: -1743.481 where: short stacking energy: -712.999 Base-Backbone interact. energy: -2.696 local terms energy: -831.331591 where: bonds (distance) C4'-P energy: -156.170 bonds (distance) P-C4' energy: -172.323 flat angles C4'-P-C4' energy: -181.219 flat angles P-C4'-P energy: -116.244 tors. eta vs tors. theta energy: -205.376 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: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2193.345627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.345627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.345627 (E_RNA) where: Base-Base interactions energy: -1422.578 where: short stacking energy: -588.802 Base-Backbone interact. energy: -1.990 local terms energy: -768.777536 where: bonds (distance) C4'-P energy: -176.175 bonds (distance) P-C4' energy: -151.593 flat angles C4'-P-C4' energy: -184.825 flat angles P-C4'-P energy: -104.805 tors. eta vs tors. theta energy: -151.378 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: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1977.416155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.416155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.416155 (E_RNA) where: Base-Base interactions energy: -1287.878 where: short stacking energy: -549.578 Base-Backbone interact. energy: -7.202 local terms energy: -682.336513 where: bonds (distance) C4'-P energy: -131.797 bonds (distance) P-C4' energy: -174.481 flat angles C4'-P-C4' energy: -153.383 flat angles P-C4'-P energy: -98.027 tors. eta vs tors. theta energy: -124.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1841.446410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.446410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.446410 (E_RNA) where: Base-Base interactions energy: -1112.831 where: short stacking energy: -532.457 Base-Backbone interact. energy: -0.208 local terms energy: -728.407710 where: bonds (distance) C4'-P energy: -160.821 bonds (distance) P-C4' energy: -158.385 flat angles C4'-P-C4' energy: -171.171 flat angles P-C4'-P energy: -107.256 tors. eta vs tors. theta energy: -130.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1165.125165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.125165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.125165 (E_RNA) where: Base-Base interactions energy: -658.498 where: short stacking energy: -301.966 Base-Backbone interact. energy: 1.469 local terms energy: -508.096598 where: bonds (distance) C4'-P energy: -151.363 bonds (distance) P-C4' energy: -139.564 flat angles C4'-P-C4' energy: -119.032 flat angles P-C4'-P energy: -87.441 tors. eta vs tors. theta energy: -10.696 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: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -966.663010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.663010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.663010 (E_RNA) where: Base-Base interactions energy: -462.261 where: short stacking energy: -272.915 Base-Backbone interact. energy: -1.852 local terms energy: -502.549836 where: bonds (distance) C4'-P energy: -137.097 bonds (distance) P-C4' energy: -167.397 flat angles C4'-P-C4' energy: -132.486 flat angles P-C4'-P energy: -45.838 tors. eta vs tors. theta energy: -19.732 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: 10, replica: 5 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -642.815887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.815887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.815887 (E_RNA) where: Base-Base interactions energy: -196.725 where: short stacking energy: -172.605 Base-Backbone interact. energy: 9.031 local terms energy: -455.121725 where: bonds (distance) C4'-P energy: -138.129 bonds (distance) P-C4' energy: -155.152 flat angles C4'-P-C4' energy: -127.446 flat angles P-C4'-P energy: -74.732 tors. eta vs tors. theta energy: 40.338 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: 3 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3099.025258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.025258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.025258 (E_RNA) where: Base-Base interactions energy: -2134.779 where: short stacking energy: -857.861 Base-Backbone interact. energy: -3.850 local terms energy: -960.396428 where: bonds (distance) C4'-P energy: -186.254 bonds (distance) P-C4' energy: -181.558 flat angles C4'-P-C4' energy: -202.580 flat angles P-C4'-P energy: -126.329 tors. eta vs tors. theta energy: -263.675 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: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -3007.279096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.279096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.279096 (E_RNA) where: Base-Base interactions energy: -2068.949 where: short stacking energy: -873.495 Base-Backbone interact. energy: -1.005 local terms energy: -937.325503 where: bonds (distance) C4'-P energy: -174.435 bonds (distance) P-C4' energy: -168.472 flat angles C4'-P-C4' energy: -198.167 flat angles P-C4'-P energy: -141.984 tors. eta vs tors. theta energy: -254.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2795.484644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.484644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.484644 (E_RNA) where: Base-Base interactions energy: -1923.856 where: short stacking energy: -775.696 Base-Backbone interact. energy: -2.719 local terms energy: -868.910362 where: bonds (distance) C4'-P energy: -155.350 bonds (distance) P-C4' energy: -194.811 flat angles C4'-P-C4' energy: -187.832 flat angles P-C4'-P energy: -96.045 tors. eta vs tors. theta energy: -234.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2638.283415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.283415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.283415 (E_RNA) where: Base-Base interactions energy: -1807.100 where: short stacking energy: -759.187 Base-Backbone interact. energy: -4.042 local terms energy: -827.140648 where: bonds (distance) C4'-P energy: -151.152 bonds (distance) P-C4' energy: -165.138 flat angles C4'-P-C4' energy: -168.881 flat angles P-C4'-P energy: -114.168 tors. eta vs tors. theta energy: -227.802 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: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2204.430845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.430845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.430845 (E_RNA) where: Base-Base interactions energy: -1440.517 where: short stacking energy: -620.502 Base-Backbone interact. energy: 0.196 local terms energy: -764.110139 where: bonds (distance) C4'-P energy: -156.811 bonds (distance) P-C4' energy: -173.131 flat angles C4'-P-C4' energy: -175.384 flat angles P-C4'-P energy: -107.502 tors. eta vs tors. theta energy: -151.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2002.807305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.807305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.807305 (E_RNA) where: Base-Base interactions energy: -1286.655 where: short stacking energy: -582.026 Base-Backbone interact. energy: -0.119 local terms energy: -716.033266 where: bonds (distance) C4'-P energy: -146.393 bonds (distance) P-C4' energy: -146.703 flat angles C4'-P-C4' energy: -175.204 flat angles P-C4'-P energy: -98.089 tors. eta vs tors. theta energy: -149.645 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: 7, replica: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1814.728169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.728169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.728169 (E_RNA) where: Base-Base interactions energy: -1137.393 where: short stacking energy: -527.809 Base-Backbone interact. energy: -1.216 local terms energy: -676.119739 where: bonds (distance) C4'-P energy: -134.259 bonds (distance) P-C4' energy: -154.085 flat angles C4'-P-C4' energy: -170.764 flat angles P-C4'-P energy: -100.534 tors. eta vs tors. theta energy: -116.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1161.744265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.744265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.744265 (E_RNA) where: Base-Base interactions energy: -598.607 where: short stacking energy: -283.829 Base-Backbone interact. energy: -1.800 local terms energy: -561.337067 where: bonds (distance) C4'-P energy: -140.400 bonds (distance) P-C4' energy: -171.183 flat angles C4'-P-C4' energy: -135.848 flat angles P-C4'-P energy: -92.121 tors. eta vs tors. theta energy: -21.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -917.726534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.726534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.726534 (E_RNA) where: Base-Base interactions energy: -426.931 where: short stacking energy: -254.679 Base-Backbone interact. energy: 8.270 local terms energy: -499.065656 where: bonds (distance) C4'-P energy: -138.004 bonds (distance) P-C4' energy: -150.983 flat angles C4'-P-C4' energy: -117.865 flat angles P-C4'-P energy: -98.725 tors. eta vs tors. theta energy: 6.511 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: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -671.439637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.439637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.439637 (E_RNA) where: Base-Base interactions energy: -211.375 where: short stacking energy: -172.821 Base-Backbone interact. energy: -1.037 local terms energy: -459.027769 where: bonds (distance) C4'-P energy: -138.650 bonds (distance) P-C4' energy: -148.844 flat angles C4'-P-C4' energy: -136.319 flat angles P-C4'-P energy: -61.996 tors. eta vs tors. theta energy: 26.782 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: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3098.355654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.355654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.355654 (E_RNA) where: Base-Base interactions energy: -2127.388 where: short stacking energy: -870.548 Base-Backbone interact. energy: -2.916 local terms energy: -968.051572 where: bonds (distance) C4'-P energy: -192.574 bonds (distance) P-C4' energy: -179.489 flat angles C4'-P-C4' energy: -205.776 flat angles P-C4'-P energy: -124.906 tors. eta vs tors. theta energy: -265.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2976.701792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.701792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.701792 (E_RNA) where: Base-Base interactions energy: -2046.469 where: short stacking energy: -846.143 Base-Backbone interact. energy: -6.808 local terms energy: -923.424249 where: bonds (distance) C4'-P energy: -183.916 bonds (distance) P-C4' energy: -161.254 flat angles C4'-P-C4' energy: -193.829 flat angles P-C4'-P energy: -131.354 tors. eta vs tors. theta energy: -253.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2775.901115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.901115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.901115 (E_RNA) where: Base-Base interactions energy: -1900.622 where: short stacking energy: -776.360 Base-Backbone interact. energy: -2.095 local terms energy: -873.184808 where: bonds (distance) C4'-P energy: -154.260 bonds (distance) P-C4' energy: -165.209 flat angles C4'-P-C4' energy: -199.917 flat angles P-C4'-P energy: -123.903 tors. eta vs tors. theta energy: -229.895 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: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2617.258781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.258781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.258781 (E_RNA) where: Base-Base interactions energy: -1774.665 where: short stacking energy: -749.824 Base-Backbone interact. energy: -1.266 local terms energy: -841.328060 where: bonds (distance) C4'-P energy: -155.148 bonds (distance) P-C4' energy: -164.873 flat angles C4'-P-C4' energy: -179.300 flat angles P-C4'-P energy: -124.892 tors. eta vs tors. theta energy: -217.116 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: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2229.678237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.678237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.678237 (E_RNA) where: Base-Base interactions energy: -1478.667 where: short stacking energy: -634.636 Base-Backbone interact. energy: -2.264 local terms energy: -748.747827 where: bonds (distance) C4'-P energy: -165.141 bonds (distance) P-C4' energy: -159.969 flat angles C4'-P-C4' energy: -172.107 flat angles P-C4'-P energy: -85.714 tors. eta vs tors. theta energy: -165.817 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: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1936.919808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.919808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.919808 (E_RNA) where: Base-Base interactions energy: -1244.677 where: short stacking energy: -548.227 Base-Backbone interact. energy: -2.456 local terms energy: -689.786716 where: bonds (distance) C4'-P energy: -150.827 bonds (distance) P-C4' energy: -160.314 flat angles C4'-P-C4' energy: -146.418 flat angles P-C4'-P energy: -89.058 tors. eta vs tors. theta energy: -143.170 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: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1734.763846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.763846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.763846 (E_RNA) where: Base-Base interactions energy: -1044.094 where: short stacking energy: -461.020 Base-Backbone interact. energy: 11.009 local terms energy: -701.679020 where: bonds (distance) C4'-P energy: -165.354 bonds (distance) P-C4' energy: -167.152 flat angles C4'-P-C4' energy: -170.235 flat angles P-C4'-P energy: -96.382 tors. eta vs tors. theta energy: -102.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1178.327486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.327486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.327486 (E_RNA) where: Base-Base interactions energy: -634.142 where: short stacking energy: -310.583 Base-Backbone interact. energy: -0.483 local terms energy: -543.703053 where: bonds (distance) C4'-P energy: -150.061 bonds (distance) P-C4' energy: -155.894 flat angles C4'-P-C4' energy: -129.916 flat angles P-C4'-P energy: -84.466 tors. eta vs tors. theta energy: -23.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -938.317894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.317894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.317894 (E_RNA) where: Base-Base interactions energy: -445.251 where: short stacking energy: -217.902 Base-Backbone interact. energy: 0.376 local terms energy: -493.443585 where: bonds (distance) C4'-P energy: -149.570 bonds (distance) P-C4' energy: -157.085 flat angles C4'-P-C4' energy: -125.123 flat angles P-C4'-P energy: -99.187 tors. eta vs tors. theta energy: 37.522 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: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -618.932648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.932648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.932648 (E_RNA) where: Base-Base interactions energy: -174.773 where: short stacking energy: -149.455 Base-Backbone interact. energy: -0.527 local terms energy: -443.632547 where: bonds (distance) C4'-P energy: -130.246 bonds (distance) P-C4' energy: -165.325 flat angles C4'-P-C4' energy: -140.967 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: 48.149 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: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3098.075498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.075498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.075498 (E_RNA) where: Base-Base interactions energy: -2156.087 where: short stacking energy: -893.429 Base-Backbone interact. energy: -2.835 local terms energy: -939.153475 where: bonds (distance) C4'-P energy: -161.375 bonds (distance) P-C4' energy: -184.173 flat angles C4'-P-C4' energy: -205.818 flat angles P-C4'-P energy: -123.126 tors. eta vs tors. theta energy: -264.661 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: 7 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -3012.111539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.111539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.111539 (E_RNA) where: Base-Base interactions energy: -2078.306 where: short stacking energy: -870.064 Base-Backbone interact. energy: -4.282 local terms energy: -929.523637 where: bonds (distance) C4'-P energy: -169.260 bonds (distance) P-C4' energy: -184.717 flat angles C4'-P-C4' energy: -196.723 flat angles P-C4'-P energy: -114.286 tors. eta vs tors. theta energy: -264.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2750.110860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.110860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.110860 (E_RNA) where: Base-Base interactions energy: -1868.707 where: short stacking energy: -756.920 Base-Backbone interact. energy: 3.706 local terms energy: -885.110157 where: bonds (distance) C4'-P energy: -160.229 bonds (distance) P-C4' energy: -186.702 flat angles C4'-P-C4' energy: -186.718 flat angles P-C4'-P energy: -133.375 tors. eta vs tors. theta energy: -218.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2676.107632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.107632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.107632 (E_RNA) where: Base-Base interactions energy: -1823.000 where: short stacking energy: -782.421 Base-Backbone interact. energy: 4.625 local terms energy: -857.732674 where: bonds (distance) C4'-P energy: -142.520 bonds (distance) P-C4' energy: -176.109 flat angles C4'-P-C4' energy: -198.916 flat angles P-C4'-P energy: -123.115 tors. eta vs tors. theta energy: -217.074 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: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2190.949612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.949612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.949612 (E_RNA) where: Base-Base interactions energy: -1416.937 where: short stacking energy: -603.395 Base-Backbone interact. energy: -0.960 local terms energy: -773.052457 where: bonds (distance) C4'-P energy: -155.084 bonds (distance) P-C4' energy: -181.123 flat angles C4'-P-C4' energy: -187.232 flat angles P-C4'-P energy: -99.296 tors. eta vs tors. theta energy: -150.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2040.694526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.694526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.694526 (E_RNA) where: Base-Base interactions energy: -1306.564 where: short stacking energy: -560.305 Base-Backbone interact. energy: 1.291 local terms energy: -735.421744 where: bonds (distance) C4'-P energy: -139.711 bonds (distance) P-C4' energy: -169.152 flat angles C4'-P-C4' energy: -178.306 flat angles P-C4'-P energy: -97.874 tors. eta vs tors. theta energy: -150.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1725.875827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.875827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.875827 (E_RNA) where: Base-Base interactions energy: -1056.453 where: short stacking energy: -451.342 Base-Backbone interact. energy: 5.103 local terms energy: -674.525826 where: bonds (distance) C4'-P energy: -148.092 bonds (distance) P-C4' energy: -169.979 flat angles C4'-P-C4' energy: -151.305 flat angles P-C4'-P energy: -113.229 tors. eta vs tors. theta energy: -91.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1145.241853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.241853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.241853 (E_RNA) where: Base-Base interactions energy: -591.523 where: short stacking energy: -316.608 Base-Backbone interact. energy: 1.820 local terms energy: -555.539028 where: bonds (distance) C4'-P energy: -163.431 bonds (distance) P-C4' energy: -183.239 flat angles C4'-P-C4' energy: -142.103 flat angles P-C4'-P energy: -56.879 tors. eta vs tors. theta energy: -9.887 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: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -984.973652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.973652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.973652 (E_RNA) where: Base-Base interactions energy: -480.982 where: short stacking energy: -292.777 Base-Backbone interact. energy: -3.591 local terms energy: -500.400754 where: bonds (distance) C4'-P energy: -149.733 bonds (distance) P-C4' energy: -130.710 flat angles C4'-P-C4' energy: -127.579 flat angles P-C4'-P energy: -86.984 tors. eta vs tors. theta energy: -5.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -647.810813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.810813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.810813 (E_RNA) where: Base-Base interactions energy: -225.459 where: short stacking energy: -152.766 Base-Backbone interact. energy: -1.573 local terms energy: -420.778924 where: bonds (distance) C4'-P energy: -127.143 bonds (distance) P-C4' energy: -139.080 flat angles C4'-P-C4' energy: -144.682 flat angles P-C4'-P energy: -64.520 tors. eta vs tors. theta energy: 54.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3096.080154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.080154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.080154 (E_RNA) where: Base-Base interactions energy: -2132.416 where: short stacking energy: -883.286 Base-Backbone interact. energy: -3.947 local terms energy: -959.717486 where: bonds (distance) C4'-P energy: -172.947 bonds (distance) P-C4' energy: -179.904 flat angles C4'-P-C4' energy: -215.637 flat angles P-C4'-P energy: -127.632 tors. eta vs tors. theta energy: -263.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -3021.403701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.403701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.403701 (E_RNA) where: Base-Base interactions energy: -2062.219 where: short stacking energy: -865.438 Base-Backbone interact. energy: -5.884 local terms energy: -953.301133 where: bonds (distance) C4'-P energy: -177.179 bonds (distance) P-C4' energy: -183.807 flat angles C4'-P-C4' energy: -208.790 flat angles P-C4'-P energy: -110.845 tors. eta vs tors. theta energy: -272.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2817.029671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.029671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.029671 (E_RNA) where: Base-Base interactions energy: -1915.930 where: short stacking energy: -802.011 Base-Backbone interact. energy: 0.898 local terms energy: -901.997930 where: bonds (distance) C4'-P energy: -167.397 bonds (distance) P-C4' energy: -177.100 flat angles C4'-P-C4' energy: -194.578 flat angles P-C4'-P energy: -134.979 tors. eta vs tors. theta energy: -227.944 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: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2605.551250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.551250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.551250 (E_RNA) where: Base-Base interactions energy: -1734.446 where: short stacking energy: -734.810 Base-Backbone interact. energy: -4.728 local terms energy: -866.377596 where: bonds (distance) C4'-P energy: -165.955 bonds (distance) P-C4' energy: -162.344 flat angles C4'-P-C4' energy: -187.345 flat angles P-C4'-P energy: -130.610 tors. eta vs tors. theta energy: -220.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2191.956398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.956398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.956398 (E_RNA) where: Base-Base interactions energy: -1430.115 where: short stacking energy: -612.405 Base-Backbone interact. energy: 0.113 local terms energy: -761.954366 where: bonds (distance) C4'-P energy: -166.454 bonds (distance) P-C4' energy: -162.152 flat angles C4'-P-C4' energy: -174.892 flat angles P-C4'-P energy: -111.134 tors. eta vs tors. theta energy: -147.323 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: 6, replica: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2059.244446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.244446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.244446 (E_RNA) where: Base-Base interactions energy: -1324.119 where: short stacking energy: -599.896 Base-Backbone interact. energy: -4.615 local terms energy: -730.510567 where: bonds (distance) C4'-P energy: -140.644 bonds (distance) P-C4' energy: -154.871 flat angles C4'-P-C4' energy: -184.861 flat angles P-C4'-P energy: -89.038 tors. eta vs tors. theta energy: -161.096 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: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1795.652706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.652706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.652706 (E_RNA) where: Base-Base interactions energy: -1137.663 where: short stacking energy: -543.555 Base-Backbone interact. energy: -1.358 local terms energy: -656.631439 where: bonds (distance) C4'-P energy: -153.300 bonds (distance) P-C4' energy: -163.869 flat angles C4'-P-C4' energy: -142.405 flat angles P-C4'-P energy: -81.890 tors. eta vs tors. theta energy: -115.167 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: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1215.858013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.858013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.858013 (E_RNA) where: Base-Base interactions energy: -634.510 where: short stacking energy: -319.384 Base-Backbone interact. energy: -2.825 local terms energy: -578.522758 where: bonds (distance) C4'-P energy: -168.804 bonds (distance) P-C4' energy: -128.866 flat angles C4'-P-C4' energy: -172.502 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: -40.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -996.330241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.330241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.330241 (E_RNA) where: Base-Base interactions energy: -493.278 where: short stacking energy: -275.121 Base-Backbone interact. energy: -2.043 local terms energy: -501.009979 where: bonds (distance) C4'-P energy: -148.356 bonds (distance) P-C4' energy: -128.322 flat angles C4'-P-C4' energy: -150.638 flat angles P-C4'-P energy: -72.053 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -643.600056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.600056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.600056 (E_RNA) where: Base-Base interactions energy: -208.570 where: short stacking energy: -186.267 Base-Backbone interact. energy: 14.098 local terms energy: -449.127403 where: bonds (distance) C4'-P energy: -142.398 bonds (distance) P-C4' energy: -134.679 flat angles C4'-P-C4' energy: -116.309 flat angles P-C4'-P energy: -72.296 tors. eta vs tors. theta energy: 16.555 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: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3115.435143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.435143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.435143 (E_RNA) where: Base-Base interactions energy: -2152.484 where: short stacking energy: -897.361 Base-Backbone interact. energy: -4.283 local terms energy: -958.667722 where: bonds (distance) C4'-P energy: -181.159 bonds (distance) P-C4' energy: -178.929 flat angles C4'-P-C4' energy: -208.885 flat angles P-C4'-P energy: -132.445 tors. eta vs tors. theta energy: -257.249 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: 7 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2985.860615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.860615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.860615 (E_RNA) where: Base-Base interactions energy: -2045.847 where: short stacking energy: -886.534 Base-Backbone interact. energy: -6.946 local terms energy: -933.067364 where: bonds (distance) C4'-P energy: -164.045 bonds (distance) P-C4' energy: -174.830 flat angles C4'-P-C4' energy: -186.381 flat angles P-C4'-P energy: -136.290 tors. eta vs tors. theta energy: -271.522 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: 320 Temperature: 1.000000 Total energy: -2795.798355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.798355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.798355 (E_RNA) where: Base-Base interactions energy: -1899.274 where: short stacking energy: -764.529 Base-Backbone interact. energy: -3.170 local terms energy: -893.354391 where: bonds (distance) C4'-P energy: -180.856 bonds (distance) P-C4' energy: -179.050 flat angles C4'-P-C4' energy: -184.442 flat angles P-C4'-P energy: -114.492 tors. eta vs tors. theta energy: -234.514 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: 4, replica: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2613.454916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.454916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.454916 (E_RNA) where: Base-Base interactions energy: -1740.774 where: short stacking energy: -746.559 Base-Backbone interact. energy: -3.093 local terms energy: -869.588363 where: bonds (distance) C4'-P energy: -164.188 bonds (distance) P-C4' energy: -163.317 flat angles C4'-P-C4' energy: -189.785 flat angles P-C4'-P energy: -136.001 tors. eta vs tors. theta energy: -216.298 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: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2243.478941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.478941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.478941 (E_RNA) where: Base-Base interactions energy: -1476.826 where: short stacking energy: -647.162 Base-Backbone interact. energy: 0.350 local terms energy: -767.002394 where: bonds (distance) C4'-P energy: -143.282 bonds (distance) P-C4' energy: -174.938 flat angles C4'-P-C4' energy: -160.564 flat angles P-C4'-P energy: -113.693 tors. eta vs tors. theta energy: -174.525 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: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1953.657163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.657163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.657163 (E_RNA) where: Base-Base interactions energy: -1236.147 where: short stacking energy: -559.082 Base-Backbone interact. energy: -1.484 local terms energy: -716.026302 where: bonds (distance) C4'-P energy: -173.449 bonds (distance) P-C4' energy: -156.425 flat angles C4'-P-C4' energy: -157.987 flat angles P-C4'-P energy: -92.475 tors. eta vs tors. theta energy: -135.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1734.246663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.246663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.246663 (E_RNA) where: Base-Base interactions energy: -1086.139 where: short stacking energy: -500.571 Base-Backbone interact. energy: 7.137 local terms energy: -655.245066 where: bonds (distance) C4'-P energy: -137.301 bonds (distance) P-C4' energy: -138.778 flat angles C4'-P-C4' energy: -155.115 flat angles P-C4'-P energy: -107.830 tors. eta vs tors. theta energy: -116.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1149.288405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.288405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.288405 (E_RNA) where: Base-Base interactions energy: -593.888 where: short stacking energy: -331.025 Base-Backbone interact. energy: 2.371 local terms energy: -557.771352 where: bonds (distance) C4'-P energy: -140.621 bonds (distance) P-C4' energy: -175.065 flat angles C4'-P-C4' energy: -124.797 flat angles P-C4'-P energy: -93.910 tors. eta vs tors. theta energy: -23.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -960.970799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.970799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.970799 (E_RNA) where: Base-Base interactions energy: -464.933 where: short stacking energy: -253.538 Base-Backbone interact. energy: 8.587 local terms energy: -504.624982 where: bonds (distance) C4'-P energy: -147.272 bonds (distance) P-C4' energy: -150.077 flat angles C4'-P-C4' energy: -123.664 flat angles P-C4'-P energy: -84.219 tors. eta vs tors. theta energy: 0.608 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: 5 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -666.566121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.566121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.566121 (E_RNA) where: Base-Base interactions energy: -247.664 where: short stacking energy: -220.484 Base-Backbone interact. energy: 5.040 local terms energy: -423.942125 where: bonds (distance) C4'-P energy: -126.982 bonds (distance) P-C4' energy: -140.604 flat angles C4'-P-C4' energy: -106.063 flat angles P-C4'-P energy: -62.277 tors. eta vs tors. theta energy: 11.984 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: 1, replica: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3093.999165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.999165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.999165 (E_RNA) where: Base-Base interactions energy: -2122.986 where: short stacking energy: -875.887 Base-Backbone interact. energy: -1.519 local terms energy: -969.494090 where: bonds (distance) C4'-P energy: -179.421 bonds (distance) P-C4' energy: -183.644 flat angles C4'-P-C4' energy: -201.504 flat angles P-C4'-P energy: -137.677 tors. eta vs tors. theta energy: -267.249 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: 7 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2989.696943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.696943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.696943 (E_RNA) where: Base-Base interactions energy: -2033.072 where: short stacking energy: -861.671 Base-Backbone interact. energy: -1.123 local terms energy: -955.501831 where: bonds (distance) C4'-P energy: -193.782 bonds (distance) P-C4' energy: -176.675 flat angles C4'-P-C4' energy: -210.080 flat angles P-C4'-P energy: -126.050 tors. eta vs tors. theta energy: -248.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2814.322257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.322257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.322257 (E_RNA) where: Base-Base interactions energy: -1893.601 where: short stacking energy: -782.976 Base-Backbone interact. energy: -3.975 local terms energy: -916.746333 where: bonds (distance) C4'-P energy: -184.881 bonds (distance) P-C4' energy: -187.096 flat angles C4'-P-C4' energy: -196.593 flat angles P-C4'-P energy: -113.613 tors. eta vs tors. theta energy: -234.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2664.869380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.869380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.869380 (E_RNA) where: Base-Base interactions energy: -1769.753 where: short stacking energy: -780.458 Base-Backbone interact. energy: -2.252 local terms energy: -892.864374 where: bonds (distance) C4'-P energy: -180.365 bonds (distance) P-C4' energy: -174.256 flat angles C4'-P-C4' energy: -199.985 flat angles P-C4'-P energy: -108.331 tors. eta vs tors. theta energy: -229.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2250.084626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.084626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.084626 (E_RNA) where: Base-Base interactions energy: -1484.817 where: short stacking energy: -626.560 Base-Backbone interact. energy: -1.854 local terms energy: -763.412985 where: bonds (distance) C4'-P energy: -160.041 bonds (distance) P-C4' energy: -142.312 flat angles C4'-P-C4' energy: -190.251 flat angles P-C4'-P energy: -116.419 tors. eta vs tors. theta energy: -154.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2003.724615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.724615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.724615 (E_RNA) where: Base-Base interactions energy: -1321.792 where: short stacking energy: -572.317 Base-Backbone interact. energy: -4.292 local terms energy: -677.640659 where: bonds (distance) C4'-P energy: -134.984 bonds (distance) P-C4' energy: -160.816 flat angles C4'-P-C4' energy: -151.312 flat angles P-C4'-P energy: -101.106 tors. eta vs tors. theta energy: -129.422 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: 2 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1740.582587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.582587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.582587 (E_RNA) where: Base-Base interactions energy: -1050.080 where: short stacking energy: -511.444 Base-Backbone interact. energy: -2.379 local terms energy: -688.123740 where: bonds (distance) C4'-P energy: -157.878 bonds (distance) P-C4' energy: -169.105 flat angles C4'-P-C4' energy: -144.321 flat angles P-C4'-P energy: -110.072 tors. eta vs tors. theta energy: -106.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1126.457373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.457373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.457373 (E_RNA) where: Base-Base interactions energy: -555.343 where: short stacking energy: -322.761 Base-Backbone interact. energy: 7.529 local terms energy: -578.643423 where: bonds (distance) C4'-P energy: -151.640 bonds (distance) P-C4' energy: -152.551 flat angles C4'-P-C4' energy: -154.354 flat angles P-C4'-P energy: -83.479 tors. eta vs tors. theta energy: -36.620 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: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1061.839489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.839489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.839489 (E_RNA) where: Base-Base interactions energy: -549.993 where: short stacking energy: -291.930 Base-Backbone interact. energy: -0.176 local terms energy: -511.669517 where: bonds (distance) C4'-P energy: -158.438 bonds (distance) P-C4' energy: -133.475 flat angles C4'-P-C4' energy: -118.359 flat angles P-C4'-P energy: -72.336 tors. eta vs tors. theta energy: -29.061 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: 10, replica: 5 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -651.277802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.277802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.277802 (E_RNA) where: Base-Base interactions energy: -226.668 where: short stacking energy: -179.670 Base-Backbone interact. energy: 3.619 local terms energy: -428.228664 where: bonds (distance) C4'-P energy: -136.361 bonds (distance) P-C4' energy: -132.859 flat angles C4'-P-C4' energy: -120.390 flat angles P-C4'-P energy: -74.790 tors. eta vs tors. theta energy: 36.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3120.432510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.432510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.432510 (E_RNA) where: Base-Base interactions energy: -2164.168 where: short stacking energy: -915.222 Base-Backbone interact. energy: -4.949 local terms energy: -951.315954 where: bonds (distance) C4'-P energy: -156.380 bonds (distance) P-C4' energy: -193.591 flat angles C4'-P-C4' energy: -205.353 flat angles P-C4'-P energy: -127.240 tors. eta vs tors. theta energy: -268.752 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: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2996.177035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.177035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.177035 (E_RNA) where: Base-Base interactions energy: -2047.888 where: short stacking energy: -869.344 Base-Backbone interact. energy: -0.789 local terms energy: -947.499830 where: bonds (distance) C4'-P energy: -170.449 bonds (distance) P-C4' energy: -178.997 flat angles C4'-P-C4' energy: -200.122 flat angles P-C4'-P energy: -131.984 tors. eta vs tors. theta energy: -265.948 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: 3, replica: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2799.616221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.616221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.616221 (E_RNA) where: Base-Base interactions energy: -1888.933 where: short stacking energy: -780.840 Base-Backbone interact. energy: -2.314 local terms energy: -908.369138 where: bonds (distance) C4'-P energy: -185.496 bonds (distance) P-C4' energy: -170.525 flat angles C4'-P-C4' energy: -188.783 flat angles P-C4'-P energy: -141.896 tors. eta vs tors. theta energy: -221.669 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: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2667.318821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.318821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.318821 (E_RNA) where: Base-Base interactions energy: -1784.651 where: short stacking energy: -741.979 Base-Backbone interact. energy: 0.708 local terms energy: -883.375205 where: bonds (distance) C4'-P energy: -163.881 bonds (distance) P-C4' energy: -170.200 flat angles C4'-P-C4' energy: -193.146 flat angles P-C4'-P energy: -128.282 tors. eta vs tors. theta energy: -227.866 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: 5, replica: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2275.892554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.892554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.892554 (E_RNA) where: Base-Base interactions energy: -1519.509 where: short stacking energy: -625.198 Base-Backbone interact. energy: 2.116 local terms energy: -758.499595 where: bonds (distance) C4'-P energy: -166.007 bonds (distance) P-C4' energy: -149.115 flat angles C4'-P-C4' energy: -179.076 flat angles P-C4'-P energy: -110.859 tors. eta vs tors. theta energy: -153.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1998.686066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.686066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.686066 (E_RNA) where: Base-Base interactions energy: -1302.727 where: short stacking energy: -558.742 Base-Backbone interact. energy: 2.147 local terms energy: -698.106040 where: bonds (distance) C4'-P energy: -159.169 bonds (distance) P-C4' energy: -151.940 flat angles C4'-P-C4' energy: -161.644 flat angles P-C4'-P energy: -92.625 tors. eta vs tors. theta energy: -132.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1688.527292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.527292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.527292 (E_RNA) where: Base-Base interactions energy: -1029.166 where: short stacking energy: -449.469 Base-Backbone interact. energy: -2.741 local terms energy: -656.620161 where: bonds (distance) C4'-P energy: -162.113 bonds (distance) P-C4' energy: -171.201 flat angles C4'-P-C4' energy: -142.651 flat angles P-C4'-P energy: -89.627 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: 8, replica: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1096.784559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.784559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.784559 (E_RNA) where: Base-Base interactions energy: -562.969 where: short stacking energy: -288.935 Base-Backbone interact. energy: 3.957 local terms energy: -537.772060 where: bonds (distance) C4'-P energy: -155.159 bonds (distance) P-C4' energy: -156.600 flat angles C4'-P-C4' energy: -140.677 flat angles P-C4'-P energy: -75.880 tors. eta vs tors. theta energy: -9.456 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: 8 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -979.813744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.813744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.813744 (E_RNA) where: Base-Base interactions energy: -498.188 where: short stacking energy: -301.333 Base-Backbone interact. energy: 1.700 local terms energy: -483.325838 where: bonds (distance) C4'-P energy: -129.422 bonds (distance) P-C4' energy: -144.341 flat angles C4'-P-C4' energy: -139.763 flat angles P-C4'-P energy: -67.402 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -639.661692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.661692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.661692 (E_RNA) where: Base-Base interactions energy: -229.124 where: short stacking energy: -154.913 Base-Backbone interact. energy: 0.401 local terms energy: -410.938227 where: bonds (distance) C4'-P energy: -131.533 bonds (distance) P-C4' energy: -128.031 flat angles C4'-P-C4' energy: -122.978 flat angles P-C4'-P energy: -61.375 tors. eta vs tors. theta energy: 32.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3120.470583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.470583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.470583 (E_RNA) where: Base-Base interactions energy: -2174.775 where: short stacking energy: -900.719 Base-Backbone interact. energy: -1.581 local terms energy: -944.114794 where: bonds (distance) C4'-P energy: -160.540 bonds (distance) P-C4' energy: -188.430 flat angles C4'-P-C4' energy: -205.179 flat angles P-C4'-P energy: -122.351 tors. eta vs tors. theta energy: -267.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2952.229649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.229649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.229649 (E_RNA) where: Base-Base interactions energy: -2034.754 where: short stacking energy: -824.203 Base-Backbone interact. energy: -2.287 local terms energy: -915.188347 where: bonds (distance) C4'-P energy: -182.307 bonds (distance) P-C4' energy: -167.885 flat angles C4'-P-C4' energy: -208.699 flat angles P-C4'-P energy: -114.715 tors. eta vs tors. theta energy: -241.582 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: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2761.102793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.102793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.102793 (E_RNA) where: Base-Base interactions energy: -1899.403 where: short stacking energy: -818.719 Base-Backbone interact. energy: 2.214 local terms energy: -863.913878 where: bonds (distance) C4'-P energy: -175.760 bonds (distance) P-C4' energy: -146.363 flat angles C4'-P-C4' energy: -189.925 flat angles P-C4'-P energy: -118.482 tors. eta vs tors. theta energy: -233.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2704.387076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.387076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.387076 (E_RNA) where: Base-Base interactions energy: -1798.490 where: short stacking energy: -780.243 Base-Backbone interact. energy: -5.102 local terms energy: -900.794994 where: bonds (distance) C4'-P energy: -158.175 bonds (distance) P-C4' energy: -168.106 flat angles C4'-P-C4' energy: -192.293 flat angles P-C4'-P energy: -134.981 tors. eta vs tors. theta energy: -247.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2331.802180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.802180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.802180 (E_RNA) where: Base-Base interactions energy: -1550.009 where: short stacking energy: -642.764 Base-Backbone interact. energy: 1.479 local terms energy: -783.271262 where: bonds (distance) C4'-P energy: -136.776 bonds (distance) P-C4' energy: -176.170 flat angles C4'-P-C4' energy: -186.381 flat angles P-C4'-P energy: -118.449 tors. eta vs tors. theta energy: -165.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1942.217403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.217403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.217403 (E_RNA) where: Base-Base interactions energy: -1212.587 where: short stacking energy: -556.493 Base-Backbone interact. energy: -4.268 local terms energy: -725.363138 where: bonds (distance) C4'-P energy: -144.993 bonds (distance) P-C4' energy: -162.824 flat angles C4'-P-C4' energy: -163.940 flat angles P-C4'-P energy: -107.853 tors. eta vs tors. theta energy: -145.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1717.095621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.095621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.095621 (E_RNA) where: Base-Base interactions energy: -1043.873 where: short stacking energy: -480.202 Base-Backbone interact. energy: 1.403 local terms energy: -674.625582 where: bonds (distance) C4'-P energy: -135.669 bonds (distance) P-C4' energy: -164.069 flat angles C4'-P-C4' energy: -146.197 flat angles P-C4'-P energy: -105.688 tors. eta vs tors. theta energy: -123.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1069.736087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.736087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.736087 (E_RNA) where: Base-Base interactions energy: -533.039 where: short stacking energy: -284.272 Base-Backbone interact. energy: 3.078 local terms energy: -539.775095 where: bonds (distance) C4'-P energy: -133.023 bonds (distance) P-C4' energy: -151.891 flat angles C4'-P-C4' energy: -143.972 flat angles P-C4'-P energy: -92.477 tors. eta vs tors. theta energy: -18.412 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: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -926.720923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.720923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.720923 (E_RNA) where: Base-Base interactions energy: -436.955 where: short stacking energy: -222.746 Base-Backbone interact. energy: -1.817 local terms energy: -487.948991 where: bonds (distance) C4'-P energy: -131.337 bonds (distance) P-C4' energy: -157.601 flat angles C4'-P-C4' energy: -119.318 flat angles P-C4'-P energy: -96.313 tors. eta vs tors. theta energy: 16.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -642.930749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.930749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.930749 (E_RNA) where: Base-Base interactions energy: -197.704 where: short stacking energy: -143.524 Base-Backbone interact. energy: 6.305 local terms energy: -451.532120 where: bonds (distance) C4'-P energy: -153.091 bonds (distance) P-C4' energy: -159.042 flat angles C4'-P-C4' energy: -115.517 flat angles P-C4'-P energy: -86.962 tors. eta vs tors. theta energy: 63.081 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: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3109.421231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.421231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.421231 (E_RNA) where: Base-Base interactions energy: -2124.072 where: short stacking energy: -899.305 Base-Backbone interact. energy: -3.246 local terms energy: -982.103421 where: bonds (distance) C4'-P energy: -182.666 bonds (distance) P-C4' energy: -184.651 flat angles C4'-P-C4' energy: -213.562 flat angles P-C4'-P energy: -137.718 tors. eta vs tors. theta energy: -263.506 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: 7 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2995.828454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.828454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.828454 (E_RNA) where: Base-Base interactions energy: -2073.701 where: short stacking energy: -833.705 Base-Backbone interact. energy: -6.445 local terms energy: -915.681661 where: bonds (distance) C4'-P energy: -171.809 bonds (distance) P-C4' energy: -169.513 flat angles C4'-P-C4' energy: -194.785 flat angles P-C4'-P energy: -127.585 tors. eta vs tors. theta energy: -251.989 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: 3, replica: 6 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2782.295924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.295924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.295924 (E_RNA) where: Base-Base interactions energy: -1889.874 where: short stacking energy: -774.157 Base-Backbone interact. energy: -2.569 local terms energy: -889.853490 where: bonds (distance) C4'-P energy: -162.884 bonds (distance) P-C4' energy: -172.989 flat angles C4'-P-C4' energy: -182.808 flat angles P-C4'-P energy: -127.377 tors. eta vs tors. theta energy: -243.795 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: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2675.725022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.725022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.725022 (E_RNA) where: Base-Base interactions energy: -1789.061 where: short stacking energy: -769.584 Base-Backbone interact. energy: -0.425 local terms energy: -886.238485 where: bonds (distance) C4'-P energy: -167.765 bonds (distance) P-C4' energy: -174.311 flat angles C4'-P-C4' energy: -189.236 flat angles P-C4'-P energy: -121.557 tors. eta vs tors. theta energy: -233.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2277.752917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.752917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.752917 (E_RNA) where: Base-Base interactions energy: -1475.046 where: short stacking energy: -619.787 Base-Backbone interact. energy: -3.243 local terms energy: -799.463176 where: bonds (distance) C4'-P energy: -163.217 bonds (distance) P-C4' energy: -178.940 flat angles C4'-P-C4' energy: -181.938 flat angles P-C4'-P energy: -118.285 tors. eta vs tors. theta energy: -157.082 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: 6, replica: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1931.094849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.094849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.094849 (E_RNA) where: Base-Base interactions energy: -1235.944 where: short stacking energy: -554.668 Base-Backbone interact. energy: 1.053 local terms energy: -696.204689 where: bonds (distance) C4'-P energy: -146.569 bonds (distance) P-C4' energy: -147.580 flat angles C4'-P-C4' energy: -163.551 flat angles P-C4'-P energy: -112.786 tors. eta vs tors. theta energy: -125.718 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: 7, replica: 2 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1775.444237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.444237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.444237 (E_RNA) where: Base-Base interactions energy: -1094.058 where: short stacking energy: -503.220 Base-Backbone interact. energy: -5.042 local terms energy: -676.344205 where: bonds (distance) C4'-P energy: -151.572 bonds (distance) P-C4' energy: -160.048 flat angles C4'-P-C4' energy: -158.300 flat angles P-C4'-P energy: -94.223 tors. eta vs tors. theta energy: -112.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1039.607772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.607772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.607772 (E_RNA) where: Base-Base interactions energy: -495.406 where: short stacking energy: -283.743 Base-Backbone interact. energy: -1.954 local terms energy: -542.248215 where: bonds (distance) C4'-P energy: -133.854 bonds (distance) P-C4' energy: -171.768 flat angles C4'-P-C4' energy: -134.408 flat angles P-C4'-P energy: -101.166 tors. eta vs tors. theta energy: -1.052 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: 8 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -968.199160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.199160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.199160 (E_RNA) where: Base-Base interactions energy: -466.845 where: short stacking energy: -291.988 Base-Backbone interact. energy: 0.344 local terms energy: -501.698303 where: bonds (distance) C4'-P energy: -140.824 bonds (distance) P-C4' energy: -160.855 flat angles C4'-P-C4' energy: -126.553 flat angles P-C4'-P energy: -70.742 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -622.392111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.392111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.392111 (E_RNA) where: Base-Base interactions energy: -208.140 where: short stacking energy: -138.394 Base-Backbone interact. energy: 1.385 local terms energy: -415.637027 where: bonds (distance) C4'-P energy: -140.764 bonds (distance) P-C4' energy: -135.710 flat angles C4'-P-C4' energy: -113.872 flat angles P-C4'-P energy: -65.717 tors. eta vs tors. theta energy: 40.426 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: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3120.937616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.937616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.937616 (E_RNA) where: Base-Base interactions energy: -2157.849 where: short stacking energy: -905.338 Base-Backbone interact. energy: -5.014 local terms energy: -958.074848 where: bonds (distance) C4'-P energy: -185.266 bonds (distance) P-C4' energy: -179.846 flat angles C4'-P-C4' energy: -206.369 flat angles P-C4'-P energy: -127.409 tors. eta vs tors. theta energy: -259.185 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: 7 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -3035.541848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.541848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.541848 (E_RNA) where: Base-Base interactions energy: -2096.153 where: short stacking energy: -858.805 Base-Backbone interact. energy: 1.200 local terms energy: -940.588929 where: bonds (distance) C4'-P energy: -155.643 bonds (distance) P-C4' energy: -183.156 flat angles C4'-P-C4' energy: -197.739 flat angles P-C4'-P energy: -141.463 tors. eta vs tors. theta energy: -262.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2782.215089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.215089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.215089 (E_RNA) where: Base-Base interactions energy: -1892.493 where: short stacking energy: -779.888 Base-Backbone interact. energy: -1.080 local terms energy: -888.642279 where: bonds (distance) C4'-P energy: -170.643 bonds (distance) P-C4' energy: -166.081 flat angles C4'-P-C4' energy: -189.734 flat angles P-C4'-P energy: -133.805 tors. eta vs tors. theta energy: -228.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2646.089020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.089020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.089020 (E_RNA) where: Base-Base interactions energy: -1799.881 where: short stacking energy: -785.647 Base-Backbone interact. energy: -2.109 local terms energy: -844.098728 where: bonds (distance) C4'-P energy: -144.941 bonds (distance) P-C4' energy: -179.853 flat angles C4'-P-C4' energy: -180.514 flat angles P-C4'-P energy: -108.721 tors. eta vs tors. theta energy: -230.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2236.136725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.136725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.136725 (E_RNA) where: Base-Base interactions energy: -1460.630 where: short stacking energy: -613.459 Base-Backbone interact. energy: 2.330 local terms energy: -777.836646 where: bonds (distance) C4'-P energy: -169.871 bonds (distance) P-C4' energy: -171.538 flat angles C4'-P-C4' energy: -173.543 flat angles P-C4'-P energy: -107.774 tors. eta vs tors. theta energy: -155.110 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: 6, replica: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2028.479706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.479706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.479706 (E_RNA) where: Base-Base interactions energy: -1334.586 where: short stacking energy: -553.631 Base-Backbone interact. energy: -1.008 local terms energy: -692.886121 where: bonds (distance) C4'-P energy: -139.458 bonds (distance) P-C4' energy: -163.372 flat angles C4'-P-C4' energy: -167.421 flat angles P-C4'-P energy: -102.037 tors. eta vs tors. theta energy: -120.598 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: 2 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1663.793780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.793780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.793780 (E_RNA) where: Base-Base interactions energy: -1020.694 where: short stacking energy: -475.641 Base-Backbone interact. energy: 7.724 local terms energy: -650.823972 where: bonds (distance) C4'-P energy: -151.505 bonds (distance) P-C4' energy: -168.529 flat angles C4'-P-C4' energy: -143.799 flat angles P-C4'-P energy: -100.602 tors. eta vs tors. theta energy: -86.389 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: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1071.533614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.533614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.533614 (E_RNA) where: Base-Base interactions energy: -536.276 where: short stacking energy: -320.350 Base-Backbone interact. energy: 3.861 local terms energy: -539.118166 where: bonds (distance) C4'-P energy: -132.533 bonds (distance) P-C4' energy: -147.699 flat angles C4'-P-C4' energy: -138.723 flat angles P-C4'-P energy: -75.576 tors. eta vs tors. theta energy: -44.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -968.666125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.666125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.666125 (E_RNA) where: Base-Base interactions energy: -476.102 where: short stacking energy: -264.204 Base-Backbone interact. energy: 0.910 local terms energy: -493.474413 where: bonds (distance) C4'-P energy: -163.309 bonds (distance) P-C4' energy: -142.031 flat angles C4'-P-C4' energy: -115.258 flat angles P-C4'-P energy: -82.915 tors. eta vs tors. theta energy: 10.039 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: 10, replica: 5 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -656.412543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.412543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.412543 (E_RNA) where: Base-Base interactions energy: -219.104 where: short stacking energy: -195.180 Base-Backbone interact. energy: -3.838 local terms energy: -433.470881 where: bonds (distance) C4'-P energy: -144.317 bonds (distance) P-C4' energy: -138.679 flat angles C4'-P-C4' energy: -107.411 flat angles P-C4'-P energy: -75.386 tors. eta vs tors. theta energy: 32.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3106.300309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.300309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.300309 (E_RNA) where: Base-Base interactions energy: -2135.180 where: short stacking energy: -904.485 Base-Backbone interact. energy: -4.141 local terms energy: -966.979907 where: bonds (distance) C4'-P energy: -176.872 bonds (distance) P-C4' energy: -183.615 flat angles C4'-P-C4' energy: -206.578 flat angles P-C4'-P energy: -140.833 tors. eta vs tors. theta energy: -259.083 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: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -3023.760321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.760321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.760321 (E_RNA) where: Base-Base interactions energy: -2044.668 where: short stacking energy: -861.274 Base-Backbone interact. energy: -3.735 local terms energy: -975.356904 where: bonds (distance) C4'-P energy: -184.903 bonds (distance) P-C4' energy: -193.634 flat angles C4'-P-C4' energy: -204.930 flat angles P-C4'-P energy: -123.806 tors. eta vs tors. theta energy: -268.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2806.268961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.268961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.268961 (E_RNA) where: Base-Base interactions energy: -1927.549 where: short stacking energy: -773.192 Base-Backbone interact. energy: -4.591 local terms energy: -874.129043 where: bonds (distance) C4'-P energy: -172.650 bonds (distance) P-C4' energy: -144.019 flat angles C4'-P-C4' energy: -193.470 flat angles P-C4'-P energy: -128.243 tors. eta vs tors. theta energy: -235.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2699.533009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.533009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.533009 (E_RNA) where: Base-Base interactions energy: -1833.208 where: short stacking energy: -818.799 Base-Backbone interact. energy: -1.559 local terms energy: -864.765703 where: bonds (distance) C4'-P energy: -135.732 bonds (distance) P-C4' energy: -179.333 flat angles C4'-P-C4' energy: -196.730 flat angles P-C4'-P energy: -113.878 tors. eta vs tors. theta energy: -239.093 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: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2359.543256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.543256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.543256 (E_RNA) where: Base-Base interactions energy: -1555.516 where: short stacking energy: -703.510 Base-Backbone interact. energy: -0.247 local terms energy: -803.780112 where: bonds (distance) C4'-P energy: -146.072 bonds (distance) P-C4' energy: -168.453 flat angles C4'-P-C4' energy: -189.954 flat angles P-C4'-P energy: -108.698 tors. eta vs tors. theta energy: -190.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1917.482597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.482597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.482597 (E_RNA) where: Base-Base interactions energy: -1210.530 where: short stacking energy: -504.732 Base-Backbone interact. energy: 2.700 local terms energy: -709.653024 where: bonds (distance) C4'-P energy: -161.552 bonds (distance) P-C4' energy: -181.544 flat angles C4'-P-C4' energy: -164.363 flat angles P-C4'-P energy: -100.692 tors. eta vs tors. theta energy: -101.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1566.323950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.323950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.323950 (E_RNA) where: Base-Base interactions energy: -972.348 where: short stacking energy: -452.567 Base-Backbone interact. energy: -0.306 local terms energy: -593.669865 where: bonds (distance) C4'-P energy: -144.815 bonds (distance) P-C4' energy: -144.357 flat angles C4'-P-C4' energy: -144.833 flat angles P-C4'-P energy: -89.733 tors. eta vs tors. theta energy: -69.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1023.782453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.782453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.782453 (E_RNA) where: Base-Base interactions energy: -502.168 where: short stacking energy: -267.403 Base-Backbone interact. energy: 2.085 local terms energy: -523.699523 where: bonds (distance) C4'-P energy: -139.951 bonds (distance) P-C4' energy: -153.782 flat angles C4'-P-C4' energy: -156.984 flat angles P-C4'-P energy: -68.956 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -920.231463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.231463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.231463 (E_RNA) where: Base-Base interactions energy: -425.314 where: short stacking energy: -233.385 Base-Backbone interact. energy: -0.560 local terms energy: -494.357899 where: bonds (distance) C4'-P energy: -135.998 bonds (distance) P-C4' energy: -162.846 flat angles C4'-P-C4' energy: -140.954 flat angles P-C4'-P energy: -79.233 tors. eta vs tors. theta energy: 24.674 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: 5 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -682.427402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.427402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.427402 (E_RNA) where: Base-Base interactions energy: -222.100 where: short stacking energy: -178.131 Base-Backbone interact. energy: -3.750 local terms energy: -456.577840 where: bonds (distance) C4'-P energy: -161.638 bonds (distance) P-C4' energy: -141.688 flat angles C4'-P-C4' energy: -114.182 flat angles P-C4'-P energy: -83.791 tors. eta vs tors. theta energy: 44.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3108.774487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.774487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.774487 (E_RNA) where: Base-Base interactions energy: -2139.512 where: short stacking energy: -899.727 Base-Backbone interact. energy: -1.457 local terms energy: -967.805228 where: bonds (distance) C4'-P energy: -174.680 bonds (distance) P-C4' energy: -188.543 flat angles C4'-P-C4' energy: -201.528 flat angles P-C4'-P energy: -131.181 tors. eta vs tors. theta energy: -271.873 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: 2, replica: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -3027.648125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.648125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.648125 (E_RNA) where: Base-Base interactions energy: -2069.237 where: short stacking energy: -885.633 Base-Backbone interact. energy: -3.887 local terms energy: -954.524171 where: bonds (distance) C4'-P energy: -151.699 bonds (distance) P-C4' energy: -185.819 flat angles C4'-P-C4' energy: -218.043 flat angles P-C4'-P energy: -141.843 tors. eta vs tors. theta energy: -257.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2799.685781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.685781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.685781 (E_RNA) where: Base-Base interactions energy: -1919.000 where: short stacking energy: -795.540 Base-Backbone interact. energy: -5.149 local terms energy: -875.537048 where: bonds (distance) C4'-P energy: -163.327 bonds (distance) P-C4' energy: -169.470 flat angles C4'-P-C4' energy: -173.924 flat angles P-C4'-P energy: -136.735 tors. eta vs tors. theta energy: -232.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2646.776447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.776447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.776447 (E_RNA) where: Base-Base interactions energy: -1746.674 where: short stacking energy: -744.834 Base-Backbone interact. energy: -4.825 local terms energy: -895.277789 where: bonds (distance) C4'-P energy: -176.261 bonds (distance) P-C4' energy: -181.774 flat angles C4'-P-C4' energy: -197.434 flat angles P-C4'-P energy: -112.571 tors. eta vs tors. theta energy: -227.239 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: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2300.140548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.140548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.140548 (E_RNA) where: Base-Base interactions energy: -1544.243 where: short stacking energy: -647.087 Base-Backbone interact. energy: -7.704 local terms energy: -748.193570 where: bonds (distance) C4'-P energy: -157.863 bonds (distance) P-C4' energy: -164.574 flat angles C4'-P-C4' energy: -165.375 flat angles P-C4'-P energy: -99.192 tors. eta vs tors. theta energy: -161.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1986.307350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.307350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.307350 (E_RNA) where: Base-Base interactions energy: -1266.214 where: short stacking energy: -532.103 Base-Backbone interact. energy: 3.232 local terms energy: -723.325664 where: bonds (distance) C4'-P energy: -152.412 bonds (distance) P-C4' energy: -163.923 flat angles C4'-P-C4' energy: -163.784 flat angles P-C4'-P energy: -109.400 tors. eta vs tors. theta energy: -133.806 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: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1588.779367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.779367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.779367 (E_RNA) where: Base-Base interactions energy: -910.189 where: short stacking energy: -456.277 Base-Backbone interact. energy: -1.822 local terms energy: -676.768358 where: bonds (distance) C4'-P energy: -158.037 bonds (distance) P-C4' energy: -170.011 flat angles C4'-P-C4' energy: -157.495 flat angles P-C4'-P energy: -102.211 tors. eta vs tors. theta energy: -89.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -984.650377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.650377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.650377 (E_RNA) where: Base-Base interactions energy: -488.520 where: short stacking energy: -246.218 Base-Backbone interact. energy: -0.901 local terms energy: -495.229018 where: bonds (distance) C4'-P energy: -159.490 bonds (distance) P-C4' energy: -133.838 flat angles C4'-P-C4' energy: -146.167 flat angles P-C4'-P energy: -74.010 tors. eta vs tors. theta energy: 18.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -992.908462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.908462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.908462 (E_RNA) where: Base-Base interactions energy: -506.127 where: short stacking energy: -279.309 Base-Backbone interact. energy: -2.567 local terms energy: -484.214542 where: bonds (distance) C4'-P energy: -143.105 bonds (distance) P-C4' energy: -146.338 flat angles C4'-P-C4' energy: -128.763 flat angles P-C4'-P energy: -57.217 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: 10, replica: 5 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -645.990002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.990002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.990002 (E_RNA) where: Base-Base interactions energy: -190.344 where: short stacking energy: -153.380 Base-Backbone interact. energy: -5.233 local terms energy: -450.413754 where: bonds (distance) C4'-P energy: -143.530 bonds (distance) P-C4' energy: -153.630 flat angles C4'-P-C4' energy: -128.741 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: 40.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3105.387164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.387164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.387164 (E_RNA) where: Base-Base interactions energy: -2150.241 where: short stacking energy: -902.861 Base-Backbone interact. energy: -0.752 local terms energy: -954.394797 where: bonds (distance) C4'-P energy: -183.135 bonds (distance) P-C4' energy: -178.686 flat angles C4'-P-C4' energy: -191.580 flat angles P-C4'-P energy: -119.676 tors. eta vs tors. theta energy: -281.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -3031.734216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.734216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.734216 (E_RNA) where: Base-Base interactions energy: -2076.591 where: short stacking energy: -881.336 Base-Backbone interact. energy: -1.040 local terms energy: -954.103107 where: bonds (distance) C4'-P energy: -191.428 bonds (distance) P-C4' energy: -179.078 flat angles C4'-P-C4' energy: -192.575 flat angles P-C4'-P energy: -127.623 tors. eta vs tors. theta energy: -263.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2768.441208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.441208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.441208 (E_RNA) where: Base-Base interactions energy: -1910.280 where: short stacking energy: -795.184 Base-Backbone interact. energy: -7.364 local terms energy: -850.796598 where: bonds (distance) C4'-P energy: -154.935 bonds (distance) P-C4' energy: -174.791 flat angles C4'-P-C4' energy: -198.307 flat angles P-C4'-P energy: -94.418 tors. eta vs tors. theta energy: -228.346 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: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2611.870690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.870690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.870690 (E_RNA) where: Base-Base interactions energy: -1757.301 where: short stacking energy: -722.993 Base-Backbone interact. energy: -2.224 local terms energy: -852.345044 where: bonds (distance) C4'-P energy: -145.640 bonds (distance) P-C4' energy: -174.998 flat angles C4'-P-C4' energy: -193.813 flat angles P-C4'-P energy: -132.854 tors. eta vs tors. theta energy: -205.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2360.100306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.100306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.100306 (E_RNA) where: Base-Base interactions energy: -1588.688 where: short stacking energy: -677.449 Base-Backbone interact. energy: 2.408 local terms energy: -773.820659 where: bonds (distance) C4'-P energy: -152.116 bonds (distance) P-C4' energy: -161.385 flat angles C4'-P-C4' energy: -176.328 flat angles P-C4'-P energy: -106.322 tors. eta vs tors. theta energy: -177.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1873.706525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.706525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.706525 (E_RNA) where: Base-Base interactions energy: -1160.891 where: short stacking energy: -532.080 Base-Backbone interact. energy: -1.977 local terms energy: -710.837822 where: bonds (distance) C4'-P energy: -145.004 bonds (distance) P-C4' energy: -158.824 flat angles C4'-P-C4' energy: -178.041 flat angles P-C4'-P energy: -107.523 tors. eta vs tors. theta energy: -121.446 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: 2 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1584.662816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.662816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.662816 (E_RNA) where: Base-Base interactions energy: -896.567 where: short stacking energy: -420.422 Base-Backbone interact. energy: 1.658 local terms energy: -689.753883 where: bonds (distance) C4'-P energy: -160.774 bonds (distance) P-C4' energy: -171.804 flat angles C4'-P-C4' energy: -167.752 flat angles P-C4'-P energy: -106.597 tors. eta vs tors. theta energy: -82.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1010.457111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.457111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.457111 (E_RNA) where: Base-Base interactions energy: -471.515 where: short stacking energy: -243.265 Base-Backbone interact. energy: -1.531 local terms energy: -537.410900 where: bonds (distance) C4'-P energy: -149.714 bonds (distance) P-C4' energy: -179.921 flat angles C4'-P-C4' energy: -131.323 flat angles P-C4'-P energy: -80.884 tors. eta vs tors. theta energy: 4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -903.907092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.907092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.907092 (E_RNA) where: Base-Base interactions energy: -406.475 where: short stacking energy: -248.771 Base-Backbone interact. energy: -0.665 local terms energy: -496.766978 where: bonds (distance) C4'-P energy: -131.013 bonds (distance) P-C4' energy: -156.064 flat angles C4'-P-C4' energy: -157.394 flat angles P-C4'-P energy: -74.706 tors. eta vs tors. theta energy: 22.409 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: 5 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -645.707427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.707427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.707427 (E_RNA) where: Base-Base interactions energy: -209.304 where: short stacking energy: -176.334 Base-Backbone interact. energy: 1.725 local terms energy: -438.128657 where: bonds (distance) C4'-P energy: -153.930 bonds (distance) P-C4' energy: -155.090 flat angles C4'-P-C4' energy: -126.211 flat angles P-C4'-P energy: -49.677 tors. eta vs tors. theta energy: 46.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3107.607544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.607544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.607544 (E_RNA) where: Base-Base interactions energy: -2125.479 where: short stacking energy: -869.075 Base-Backbone interact. energy: -8.321 local terms energy: -973.807801 where: bonds (distance) C4'-P energy: -167.550 bonds (distance) P-C4' energy: -185.105 flat angles C4'-P-C4' energy: -220.380 flat angles P-C4'-P energy: -144.663 tors. eta vs tors. theta energy: -256.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -3002.963108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.963108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.963108 (E_RNA) where: Base-Base interactions energy: -2049.381 where: short stacking energy: -881.233 Base-Backbone interact. energy: -4.732 local terms energy: -948.850272 where: bonds (distance) C4'-P energy: -166.397 bonds (distance) P-C4' energy: -178.152 flat angles C4'-P-C4' energy: -203.322 flat angles P-C4'-P energy: -135.605 tors. eta vs tors. theta energy: -265.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2755.120305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.120305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.120305 (E_RNA) where: Base-Base interactions energy: -1872.851 where: short stacking energy: -788.960 Base-Backbone interact. energy: -4.843 local terms energy: -877.426471 where: bonds (distance) C4'-P energy: -174.600 bonds (distance) P-C4' energy: -164.218 flat angles C4'-P-C4' energy: -197.630 flat angles P-C4'-P energy: -104.567 tors. eta vs tors. theta energy: -236.412 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: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2682.815798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.815798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.815798 (E_RNA) where: Base-Base interactions energy: -1794.279 where: short stacking energy: -776.252 Base-Backbone interact. energy: -2.975 local terms energy: -885.560940 where: bonds (distance) C4'-P energy: -178.370 bonds (distance) P-C4' energy: -170.051 flat angles C4'-P-C4' energy: -196.071 flat angles P-C4'-P energy: -113.221 tors. eta vs tors. theta energy: -227.849 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: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2312.421665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.421665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.421665 (E_RNA) where: Base-Base interactions energy: -1559.224 where: short stacking energy: -673.188 Base-Backbone interact. energy: 7.044 local terms energy: -760.241037 where: bonds (distance) C4'-P energy: -151.387 bonds (distance) P-C4' energy: -157.517 flat angles C4'-P-C4' energy: -184.666 flat angles P-C4'-P energy: -108.487 tors. eta vs tors. theta energy: -158.184 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: 329 Temperature: 1.150000 Total energy: -1923.305768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.305768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.305768 (E_RNA) where: Base-Base interactions energy: -1207.199 where: short stacking energy: -539.840 Base-Backbone interact. energy: -1.659 local terms energy: -714.448235 where: bonds (distance) C4'-P energy: -159.706 bonds (distance) P-C4' energy: -170.021 flat angles C4'-P-C4' energy: -150.883 flat angles P-C4'-P energy: -113.826 tors. eta vs tors. theta energy: -120.011 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: 2 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1602.321452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.321452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.321452 (E_RNA) where: Base-Base interactions energy: -975.473 where: short stacking energy: -458.899 Base-Backbone interact. energy: -1.894 local terms energy: -624.954309 where: bonds (distance) C4'-P energy: -152.724 bonds (distance) P-C4' energy: -163.040 flat angles C4'-P-C4' energy: -149.614 flat angles P-C4'-P energy: -85.546 tors. eta vs tors. theta energy: -74.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1016.744891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.744891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.744891 (E_RNA) where: Base-Base interactions energy: -505.296 where: short stacking energy: -285.878 Base-Backbone interact. energy: 2.478 local terms energy: -513.926873 where: bonds (distance) C4'-P energy: -142.543 bonds (distance) P-C4' energy: -169.868 flat angles C4'-P-C4' energy: -129.744 flat angles P-C4'-P energy: -64.642 tors. eta vs tors. theta energy: -7.130 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: 8 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -851.482002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.482002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.482002 (E_RNA) where: Base-Base interactions energy: -390.481 where: short stacking energy: -225.175 Base-Backbone interact. energy: 10.128 local terms energy: -471.128714 where: bonds (distance) C4'-P energy: -138.815 bonds (distance) P-C4' energy: -171.272 flat angles C4'-P-C4' energy: -127.275 flat angles P-C4'-P energy: -55.105 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: 10, replica: 5 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -648.505021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.505021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.505021 (E_RNA) where: Base-Base interactions energy: -246.853 where: short stacking energy: -174.837 Base-Backbone interact. energy: -0.691 local terms energy: -400.960654 where: bonds (distance) C4'-P energy: -130.584 bonds (distance) P-C4' energy: -126.983 flat angles C4'-P-C4' energy: -119.691 flat angles P-C4'-P energy: -78.757 tors. eta vs tors. theta energy: 55.054 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: 7 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3072.243988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.243988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.243988 (E_RNA) where: Base-Base interactions energy: -2078.948 where: short stacking energy: -896.961 Base-Backbone interact. energy: -5.136 local terms energy: -988.160090 where: bonds (distance) C4'-P energy: -178.035 bonds (distance) P-C4' energy: -177.708 flat angles C4'-P-C4' energy: -221.167 flat angles P-C4'-P energy: -151.987 tors. eta vs tors. theta energy: -259.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -3013.259684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.259684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.259684 (E_RNA) where: Base-Base interactions energy: -2074.330 where: short stacking energy: -848.442 Base-Backbone interact. energy: -2.224 local terms energy: -936.705286 where: bonds (distance) C4'-P energy: -167.876 bonds (distance) P-C4' energy: -179.951 flat angles C4'-P-C4' energy: -206.548 flat angles P-C4'-P energy: -125.613 tors. eta vs tors. theta energy: -256.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2726.535419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.535419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.535419 (E_RNA) where: Base-Base interactions energy: -1894.083 where: short stacking energy: -754.514 Base-Backbone interact. energy: 1.142 local terms energy: -833.594687 where: bonds (distance) C4'-P energy: -157.988 bonds (distance) P-C4' energy: -158.094 flat angles C4'-P-C4' energy: -186.240 flat angles P-C4'-P energy: -138.100 tors. eta vs tors. theta energy: -193.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2688.627959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.627959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.627959 (E_RNA) where: Base-Base interactions energy: -1806.832 where: short stacking energy: -788.105 Base-Backbone interact. energy: 1.368 local terms energy: -883.163618 where: bonds (distance) C4'-P energy: -160.582 bonds (distance) P-C4' energy: -171.200 flat angles C4'-P-C4' energy: -179.689 flat angles P-C4'-P energy: -135.433 tors. eta vs tors. theta energy: -236.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2336.749087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.749087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.749087 (E_RNA) where: Base-Base interactions energy: -1527.496 where: short stacking energy: -671.439 Base-Backbone interact. energy: -4.334 local terms energy: -804.919634 where: bonds (distance) C4'-P energy: -175.661 bonds (distance) P-C4' energy: -152.517 flat angles C4'-P-C4' energy: -181.939 flat angles P-C4'-P energy: -121.449 tors. eta vs tors. theta energy: -173.353 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: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1923.410945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.410945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.410945 (E_RNA) where: Base-Base interactions energy: -1213.405 where: short stacking energy: -549.565 Base-Backbone interact. energy: -4.844 local terms energy: -705.162302 where: bonds (distance) C4'-P energy: -140.129 bonds (distance) P-C4' energy: -167.454 flat angles C4'-P-C4' energy: -172.259 flat angles P-C4'-P energy: -97.170 tors. eta vs tors. theta energy: -128.150 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: 7, replica: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1549.339733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.339733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.339733 (E_RNA) where: Base-Base interactions energy: -930.587 where: short stacking energy: -446.342 Base-Backbone interact. energy: 7.653 local terms energy: -626.406172 where: bonds (distance) C4'-P energy: -143.254 bonds (distance) P-C4' energy: -165.256 flat angles C4'-P-C4' energy: -144.445 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -83.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1073.573369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.573369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.573369 (E_RNA) where: Base-Base interactions energy: -538.695 where: short stacking energy: -282.178 Base-Backbone interact. energy: 3.046 local terms energy: -537.923945 where: bonds (distance) C4'-P energy: -147.942 bonds (distance) P-C4' energy: -177.944 flat angles C4'-P-C4' energy: -140.660 flat angles P-C4'-P energy: -57.870 tors. eta vs tors. theta energy: -13.509 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: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -892.313540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.313540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.313540 (E_RNA) where: Base-Base interactions energy: -392.803 where: short stacking energy: -245.924 Base-Backbone interact. energy: -0.946 local terms energy: -498.564234 where: bonds (distance) C4'-P energy: -127.541 bonds (distance) P-C4' energy: -155.054 flat angles C4'-P-C4' energy: -132.532 flat angles P-C4'-P energy: -81.278 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -656.274648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.274648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.274648 (E_RNA) where: Base-Base interactions energy: -216.172 where: short stacking energy: -138.754 Base-Backbone interact. energy: 1.724 local terms energy: -441.826959 where: bonds (distance) C4'-P energy: -141.105 bonds (distance) P-C4' energy: -143.212 flat angles C4'-P-C4' energy: -114.989 flat angles P-C4'-P energy: -80.529 tors. eta vs tors. theta energy: 38.009 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: 7 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3065.914633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.914633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.914633 (E_RNA) where: Base-Base interactions energy: -2065.649 where: short stacking energy: -882.730 Base-Backbone interact. energy: -4.522 local terms energy: -995.743398 where: bonds (distance) C4'-P energy: -189.279 bonds (distance) P-C4' energy: -181.483 flat angles C4'-P-C4' energy: -204.774 flat angles P-C4'-P energy: -140.059 tors. eta vs tors. theta energy: -280.149 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: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -3031.929207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.929207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.929207 (E_RNA) where: Base-Base interactions energy: -2114.202 where: short stacking energy: -862.057 Base-Backbone interact. energy: -0.849 local terms energy: -916.878127 where: bonds (distance) C4'-P energy: -167.195 bonds (distance) P-C4' energy: -173.542 flat angles C4'-P-C4' energy: -193.989 flat angles P-C4'-P energy: -121.879 tors. eta vs tors. theta energy: -260.273 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: 3, replica: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2746.752982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.752982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.752982 (E_RNA) where: Base-Base interactions energy: -1863.983 where: short stacking energy: -752.763 Base-Backbone interact. energy: -2.951 local terms energy: -879.818696 where: bonds (distance) C4'-P energy: -155.502 bonds (distance) P-C4' energy: -172.400 flat angles C4'-P-C4' energy: -214.388 flat angles P-C4'-P energy: -115.235 tors. eta vs tors. theta energy: -222.293 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: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2643.969884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.969884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.969884 (E_RNA) where: Base-Base interactions energy: -1788.103 where: short stacking energy: -783.253 Base-Backbone interact. energy: -0.717 local terms energy: -855.149736 where: bonds (distance) C4'-P energy: -167.197 bonds (distance) P-C4' energy: -149.022 flat angles C4'-P-C4' energy: -191.595 flat angles P-C4'-P energy: -126.049 tors. eta vs tors. theta energy: -221.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2340.138109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.138109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.138109 (E_RNA) where: Base-Base interactions energy: -1556.338 where: short stacking energy: -683.314 Base-Backbone interact. energy: -3.752 local terms energy: -780.048780 where: bonds (distance) C4'-P energy: -160.810 bonds (distance) P-C4' energy: -159.018 flat angles C4'-P-C4' energy: -159.829 flat angles P-C4'-P energy: -113.736 tors. eta vs tors. theta energy: -186.656 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: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1841.258206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.258206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.258206 (E_RNA) where: Base-Base interactions energy: -1124.473 where: short stacking energy: -527.494 Base-Backbone interact. energy: -2.555 local terms energy: -714.230027 where: bonds (distance) C4'-P energy: -163.311 bonds (distance) P-C4' energy: -152.842 flat angles C4'-P-C4' energy: -155.177 flat angles P-C4'-P energy: -119.619 tors. eta vs tors. theta energy: -123.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1582.490312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.490312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.490312 (E_RNA) where: Base-Base interactions energy: -955.332 where: short stacking energy: -463.253 Base-Backbone interact. energy: 1.902 local terms energy: -629.060465 where: bonds (distance) C4'-P energy: -151.596 bonds (distance) P-C4' energy: -160.678 flat angles C4'-P-C4' energy: -150.674 flat angles P-C4'-P energy: -97.287 tors. eta vs tors. theta energy: -68.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1138.749055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.749055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.749055 (E_RNA) where: Base-Base interactions energy: -575.570 where: short stacking energy: -302.110 Base-Backbone interact. energy: -0.111 local terms energy: -563.067656 where: bonds (distance) C4'-P energy: -155.167 bonds (distance) P-C4' energy: -156.121 flat angles C4'-P-C4' energy: -137.069 flat angles P-C4'-P energy: -75.624 tors. eta vs tors. theta energy: -39.086 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: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -896.499056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.499056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.499056 (E_RNA) where: Base-Base interactions energy: -401.858 where: short stacking energy: -222.152 Base-Backbone interact. energy: 1.172 local terms energy: -495.812897 where: bonds (distance) C4'-P energy: -142.081 bonds (distance) P-C4' energy: -150.680 flat angles C4'-P-C4' energy: -149.437 flat angles P-C4'-P energy: -70.975 tors. eta vs tors. theta energy: 17.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -667.590871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.590871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.590871 (E_RNA) where: Base-Base interactions energy: -214.410 where: short stacking energy: -164.700 Base-Backbone interact. energy: -1.031 local terms energy: -452.149385 where: bonds (distance) C4'-P energy: -146.484 bonds (distance) P-C4' energy: -163.813 flat angles C4'-P-C4' energy: -122.253 flat angles P-C4'-P energy: -69.704 tors. eta vs tors. theta energy: 50.105 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: 7 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3078.241513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.241513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.241513 (E_RNA) where: Base-Base interactions energy: -2132.080 where: short stacking energy: -861.739 Base-Backbone interact. energy: -5.268 local terms energy: -940.894194 where: bonds (distance) C4'-P energy: -175.035 bonds (distance) P-C4' energy: -181.072 flat angles C4'-P-C4' energy: -203.290 flat angles P-C4'-P energy: -135.711 tors. eta vs tors. theta energy: -245.786 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: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -3042.980775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.980775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.980775 (E_RNA) where: Base-Base interactions energy: -2078.535 where: short stacking energy: -847.637 Base-Backbone interact. energy: -2.973 local terms energy: -961.473204 where: bonds (distance) C4'-P energy: -181.463 bonds (distance) P-C4' energy: -176.689 flat angles C4'-P-C4' energy: -214.629 flat angles P-C4'-P energy: -130.654 tors. eta vs tors. theta energy: -258.039 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: 332 Temperature: 1.000000 Total energy: -2746.234302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.234302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.234302 (E_RNA) where: Base-Base interactions energy: -1841.819 where: short stacking energy: -769.566 Base-Backbone interact. energy: -0.958 local terms energy: -903.456954 where: bonds (distance) C4'-P energy: -170.774 bonds (distance) P-C4' energy: -176.446 flat angles C4'-P-C4' energy: -187.383 flat angles P-C4'-P energy: -124.820 tors. eta vs tors. theta energy: -244.034 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: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2586.355739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.355739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.355739 (E_RNA) where: Base-Base interactions energy: -1765.835 where: short stacking energy: -738.488 Base-Backbone interact. energy: -2.016 local terms energy: -818.504739 where: bonds (distance) C4'-P energy: -150.236 bonds (distance) P-C4' energy: -171.470 flat angles C4'-P-C4' energy: -175.970 flat angles P-C4'-P energy: -108.098 tors. eta vs tors. theta energy: -212.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2412.259450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.259450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.259450 (E_RNA) where: Base-Base interactions energy: -1586.431 where: short stacking energy: -710.476 Base-Backbone interact. energy: 0.704 local terms energy: -826.532243 where: bonds (distance) C4'-P energy: -168.549 bonds (distance) P-C4' energy: -172.572 flat angles C4'-P-C4' energy: -177.914 flat angles P-C4'-P energy: -116.235 tors. eta vs tors. theta energy: -191.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1843.584776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.584776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.584776 (E_RNA) where: Base-Base interactions energy: -1195.391 where: short stacking energy: -516.966 Base-Backbone interact. energy: -5.030 local terms energy: -643.163778 where: bonds (distance) C4'-P energy: -152.026 bonds (distance) P-C4' energy: -150.325 flat angles C4'-P-C4' energy: -146.214 flat angles P-C4'-P energy: -85.898 tors. eta vs tors. theta energy: -108.701 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: 2 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1622.831417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.831417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.831417 (E_RNA) where: Base-Base interactions energy: -1015.321 where: short stacking energy: -461.838 Base-Backbone interact. energy: -0.202 local terms energy: -607.308420 where: bonds (distance) C4'-P energy: -136.067 bonds (distance) P-C4' energy: -163.180 flat angles C4'-P-C4' energy: -137.538 flat angles P-C4'-P energy: -77.965 tors. eta vs tors. theta energy: -92.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1132.345008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.345008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.345008 (E_RNA) where: Base-Base interactions energy: -582.228 where: short stacking energy: -330.473 Base-Backbone interact. energy: -1.539 local terms energy: -548.577300 where: bonds (distance) C4'-P energy: -138.416 bonds (distance) P-C4' energy: -162.957 flat angles C4'-P-C4' energy: -136.298 flat angles P-C4'-P energy: -81.655 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: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -946.475847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.475847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.475847 (E_RNA) where: Base-Base interactions energy: -458.675 where: short stacking energy: -224.271 Base-Backbone interact. energy: -1.325 local terms energy: -486.476710 where: bonds (distance) C4'-P energy: -119.053 bonds (distance) P-C4' energy: -155.446 flat angles C4'-P-C4' energy: -135.486 flat angles P-C4'-P energy: -82.053 tors. eta vs tors. theta energy: 5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -676.614936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.614936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.614936 (E_RNA) where: Base-Base interactions energy: -239.452 where: short stacking energy: -174.485 Base-Backbone interact. energy: 3.625 local terms energy: -440.787131 where: bonds (distance) C4'-P energy: -164.448 bonds (distance) P-C4' energy: -156.629 flat angles C4'-P-C4' energy: -100.387 flat angles P-C4'-P energy: -58.966 tors. eta vs tors. theta energy: 39.642 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: 7 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3090.382913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.382913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.382913 (E_RNA) where: Base-Base interactions energy: -2112.965 where: short stacking energy: -854.324 Base-Backbone interact. energy: -3.309 local terms energy: -974.108547 where: bonds (distance) C4'-P energy: -184.865 bonds (distance) P-C4' energy: -195.381 flat angles C4'-P-C4' energy: -195.563 flat angles P-C4'-P energy: -138.906 tors. eta vs tors. theta energy: -259.393 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: 333 Temperature: 0.950000 Total energy: -3039.019493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.019493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.019493 (E_RNA) where: Base-Base interactions energy: -2092.359 where: short stacking energy: -866.912 Base-Backbone interact. energy: 0.409 local terms energy: -947.069421 where: bonds (distance) C4'-P energy: -164.668 bonds (distance) P-C4' energy: -192.458 flat angles C4'-P-C4' energy: -204.027 flat angles P-C4'-P energy: -124.555 tors. eta vs tors. theta energy: -261.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2746.218660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.218660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.218660 (E_RNA) where: Base-Base interactions energy: -1901.858 where: short stacking energy: -798.289 Base-Backbone interact. energy: 2.397 local terms energy: -846.758178 where: bonds (distance) C4'-P energy: -138.517 bonds (distance) P-C4' energy: -170.871 flat angles C4'-P-C4' energy: -205.007 flat angles P-C4'-P energy: -110.152 tors. eta vs tors. theta energy: -222.211 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: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2639.125958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.125958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.125958 (E_RNA) where: Base-Base interactions energy: -1779.576 where: short stacking energy: -776.522 Base-Backbone interact. energy: 0.556 local terms energy: -860.106031 where: bonds (distance) C4'-P energy: -171.967 bonds (distance) P-C4' energy: -163.364 flat angles C4'-P-C4' energy: -193.132 flat angles P-C4'-P energy: -111.125 tors. eta vs tors. theta energy: -220.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2323.765816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.765816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.765816 (E_RNA) where: Base-Base interactions energy: -1544.006 where: short stacking energy: -660.870 Base-Backbone interact. energy: 0.219 local terms energy: -779.979314 where: bonds (distance) C4'-P energy: -166.440 bonds (distance) P-C4' energy: -158.297 flat angles C4'-P-C4' energy: -183.156 flat angles P-C4'-P energy: -96.388 tors. eta vs tors. theta energy: -175.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1909.333789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.333789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.333789 (E_RNA) where: Base-Base interactions energy: -1210.716 where: short stacking energy: -566.832 Base-Backbone interact. energy: -5.091 local terms energy: -693.526890 where: bonds (distance) C4'-P energy: -141.759 bonds (distance) P-C4' energy: -166.449 flat angles C4'-P-C4' energy: -166.609 flat angles P-C4'-P energy: -93.248 tors. eta vs tors. theta energy: -125.461 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: 2 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1700.625116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.625116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.625116 (E_RNA) where: Base-Base interactions energy: -1032.104 where: short stacking energy: -464.568 Base-Backbone interact. energy: -0.551 local terms energy: -667.970219 where: bonds (distance) C4'-P energy: -154.214 bonds (distance) P-C4' energy: -152.165 flat angles C4'-P-C4' energy: -155.146 flat angles P-C4'-P energy: -108.464 tors. eta vs tors. theta energy: -97.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1131.798386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.798386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.798386 (E_RNA) where: Base-Base interactions energy: -607.304 where: short stacking energy: -295.151 Base-Backbone interact. energy: -3.659 local terms energy: -520.835151 where: bonds (distance) C4'-P energy: -129.406 bonds (distance) P-C4' energy: -162.687 flat angles C4'-P-C4' energy: -135.507 flat angles P-C4'-P energy: -68.812 tors. eta vs tors. theta energy: -24.423 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: 8 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -872.149882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.149882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.149882 (E_RNA) where: Base-Base interactions energy: -384.141 where: short stacking energy: -232.288 Base-Backbone interact. energy: 2.771 local terms energy: -490.780225 where: bonds (distance) C4'-P energy: -130.403 bonds (distance) P-C4' energy: -169.787 flat angles C4'-P-C4' energy: -131.324 flat angles P-C4'-P energy: -78.333 tors. eta vs tors. theta energy: 19.065 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: 5 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -740.468712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.468712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.468712 (E_RNA) where: Base-Base interactions energy: -303.521 where: short stacking energy: -191.755 Base-Backbone interact. energy: 1.870 local terms energy: -438.817048 where: bonds (distance) C4'-P energy: -146.772 bonds (distance) P-C4' energy: -151.243 flat angles C4'-P-C4' energy: -116.239 flat angles P-C4'-P energy: -71.637 tors. eta vs tors. theta energy: 47.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3142.291530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.291530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.291530 (E_RNA) where: Base-Base interactions energy: -2145.046 where: short stacking energy: -905.520 Base-Backbone interact. energy: -5.570 local terms energy: -991.674938 where: bonds (distance) C4'-P energy: -186.970 bonds (distance) P-C4' energy: -182.159 flat angles C4'-P-C4' energy: -208.943 flat angles P-C4'-P energy: -148.559 tors. eta vs tors. theta energy: -265.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2969.050505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.050505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.050505 (E_RNA) where: Base-Base interactions energy: -2029.901 where: short stacking energy: -836.583 Base-Backbone interact. energy: -4.459 local terms energy: -934.690492 where: bonds (distance) C4'-P energy: -168.530 bonds (distance) P-C4' energy: -183.270 flat angles C4'-P-C4' energy: -197.655 flat angles P-C4'-P energy: -126.719 tors. eta vs tors. theta energy: -258.516 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: 6 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2771.379737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.379737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.379737 (E_RNA) where: Base-Base interactions energy: -1885.708 where: short stacking energy: -765.883 Base-Backbone interact. energy: 2.859 local terms energy: -888.530172 where: bonds (distance) C4'-P energy: -176.599 bonds (distance) P-C4' energy: -176.061 flat angles C4'-P-C4' energy: -179.489 flat angles P-C4'-P energy: -108.417 tors. eta vs tors. theta energy: -247.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2640.129650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.129650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.129650 (E_RNA) where: Base-Base interactions energy: -1756.720 where: short stacking energy: -775.539 Base-Backbone interact. energy: -2.684 local terms energy: -880.725806 where: bonds (distance) C4'-P energy: -166.756 bonds (distance) P-C4' energy: -174.907 flat angles C4'-P-C4' energy: -170.888 flat angles P-C4'-P energy: -129.829 tors. eta vs tors. theta energy: -238.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2345.585374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.585374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.585374 (E_RNA) where: Base-Base interactions energy: -1561.209 where: short stacking energy: -653.328 Base-Backbone interact. energy: 2.685 local terms energy: -787.062076 where: bonds (distance) C4'-P energy: -134.989 bonds (distance) P-C4' energy: -166.416 flat angles C4'-P-C4' energy: -192.187 flat angles P-C4'-P energy: -114.401 tors. eta vs tors. theta energy: -179.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1867.619302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.619302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.619302 (E_RNA) where: Base-Base interactions energy: -1149.758 where: short stacking energy: -513.680 Base-Backbone interact. energy: -3.827 local terms energy: -714.034267 where: bonds (distance) C4'-P energy: -165.274 bonds (distance) P-C4' energy: -150.152 flat angles C4'-P-C4' energy: -182.601 flat angles P-C4'-P energy: -95.656 tors. eta vs tors. theta energy: -120.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1755.230990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.230990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.230990 (E_RNA) where: Base-Base interactions energy: -1116.054 where: short stacking energy: -469.757 Base-Backbone interact. energy: -0.878 local terms energy: -638.299194 where: bonds (distance) C4'-P energy: -159.697 bonds (distance) P-C4' energy: -160.156 flat angles C4'-P-C4' energy: -131.045 flat angles P-C4'-P energy: -87.368 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: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1161.649473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.649473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.649473 (E_RNA) where: Base-Base interactions energy: -626.885 where: short stacking energy: -310.539 Base-Backbone interact. energy: -5.073 local terms energy: -529.692046 where: bonds (distance) C4'-P energy: -151.265 bonds (distance) P-C4' energy: -143.678 flat angles C4'-P-C4' energy: -153.698 flat angles P-C4'-P energy: -79.750 tors. eta vs tors. theta energy: -1.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -781.812277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.812277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.812277 (E_RNA) where: Base-Base interactions energy: -298.221 where: short stacking energy: -218.300 Base-Backbone interact. energy: -2.591 local terms energy: -481.001162 where: bonds (distance) C4'-P energy: -140.554 bonds (distance) P-C4' energy: -160.005 flat angles C4'-P-C4' energy: -117.750 flat angles P-C4'-P energy: -86.595 tors. eta vs tors. theta energy: 23.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -770.618901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.618901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.618901 (E_RNA) where: Base-Base interactions energy: -329.148 where: short stacking energy: -198.888 Base-Backbone interact. energy: 10.063 local terms energy: -451.533827 where: bonds (distance) C4'-P energy: -130.627 bonds (distance) P-C4' energy: -156.552 flat angles C4'-P-C4' energy: -138.079 flat angles P-C4'-P energy: -57.938 tors. eta vs tors. theta energy: 31.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3077.579213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.579213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.579213 (E_RNA) where: Base-Base interactions energy: -2126.816 where: short stacking energy: -913.314 Base-Backbone interact. energy: -4.471 local terms energy: -946.292259 where: bonds (distance) C4'-P energy: -161.927 bonds (distance) P-C4' energy: -174.663 flat angles C4'-P-C4' energy: -211.937 flat angles P-C4'-P energy: -134.940 tors. eta vs tors. theta energy: -262.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2994.269043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.269043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.269043 (E_RNA) where: Base-Base interactions energy: -2037.835 where: short stacking energy: -829.548 Base-Backbone interact. energy: -1.028 local terms energy: -955.405619 where: bonds (distance) C4'-P energy: -187.119 bonds (distance) P-C4' energy: -191.613 flat angles C4'-P-C4' energy: -199.219 flat angles P-C4'-P energy: -121.439 tors. eta vs tors. theta energy: -256.015 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: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2760.014142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.014142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.014142 (E_RNA) where: Base-Base interactions energy: -1890.006 where: short stacking energy: -779.217 Base-Backbone interact. energy: -3.734 local terms energy: -866.274258 where: bonds (distance) C4'-P energy: -147.453 bonds (distance) P-C4' energy: -164.809 flat angles C4'-P-C4' energy: -187.283 flat angles P-C4'-P energy: -141.174 tors. eta vs tors. theta energy: -225.556 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: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2691.240581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.240581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.240581 (E_RNA) where: Base-Base interactions energy: -1795.469 where: short stacking energy: -783.415 Base-Backbone interact. energy: -0.137 local terms energy: -895.633902 where: bonds (distance) C4'-P energy: -157.102 bonds (distance) P-C4' energy: -170.478 flat angles C4'-P-C4' energy: -202.457 flat angles P-C4'-P energy: -133.171 tors. eta vs tors. theta energy: -232.426 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: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2365.717401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.717401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.717401 (E_RNA) where: Base-Base interactions energy: -1528.977 where: short stacking energy: -660.867 Base-Backbone interact. energy: -2.696 local terms energy: -834.044067 where: bonds (distance) C4'-P energy: -162.258 bonds (distance) P-C4' energy: -180.418 flat angles C4'-P-C4' energy: -190.537 flat angles P-C4'-P energy: -117.970 tors. eta vs tors. theta energy: -182.861 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: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1838.193733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.193733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.193733 (E_RNA) where: Base-Base interactions energy: -1168.392 where: short stacking energy: -517.115 Base-Backbone interact. energy: -2.121 local terms energy: -667.680846 where: bonds (distance) C4'-P energy: -155.125 bonds (distance) P-C4' energy: -157.139 flat angles C4'-P-C4' energy: -144.916 flat angles P-C4'-P energy: -91.403 tors. eta vs tors. theta energy: -119.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1720.335145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.335145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.335145 (E_RNA) where: Base-Base interactions energy: -1069.371 where: short stacking energy: -506.806 Base-Backbone interact. energy: -1.627 local terms energy: -649.337419 where: bonds (distance) C4'-P energy: -148.039 bonds (distance) P-C4' energy: -164.363 flat angles C4'-P-C4' energy: -154.009 flat angles P-C4'-P energy: -80.069 tors. eta vs tors. theta energy: -102.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1162.347937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.347937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.347937 (E_RNA) where: Base-Base interactions energy: -615.877 where: short stacking energy: -330.389 Base-Backbone interact. energy: -4.147 local terms energy: -542.323981 where: bonds (distance) C4'-P energy: -133.983 bonds (distance) P-C4' energy: -145.188 flat angles C4'-P-C4' energy: -136.273 flat angles P-C4'-P energy: -96.275 tors. eta vs tors. theta energy: -30.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -806.425288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.425288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.425288 (E_RNA) where: Base-Base interactions energy: -283.977 where: short stacking energy: -187.589 Base-Backbone interact. energy: -0.479 local terms energy: -521.969411 where: bonds (distance) C4'-P energy: -138.681 bonds (distance) P-C4' energy: -151.017 flat angles C4'-P-C4' energy: -164.907 flat angles P-C4'-P energy: -88.987 tors. eta vs tors. theta energy: 21.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -685.223288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.223288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.223288 (E_RNA) where: Base-Base interactions energy: -267.673 where: short stacking energy: -192.453 Base-Backbone interact. energy: -1.975 local terms energy: -415.575266 where: bonds (distance) C4'-P energy: -122.518 bonds (distance) P-C4' energy: -158.774 flat angles C4'-P-C4' energy: -112.459 flat angles P-C4'-P energy: -63.616 tors. eta vs tors. theta energy: 41.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3086.782208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.782208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.782208 (E_RNA) where: Base-Base interactions energy: -2133.050 where: short stacking energy: -894.168 Base-Backbone interact. energy: -1.275 local terms energy: -952.457403 where: bonds (distance) C4'-P energy: -195.118 bonds (distance) P-C4' energy: -170.755 flat angles C4'-P-C4' energy: -203.122 flat angles P-C4'-P energy: -128.769 tors. eta vs tors. theta energy: -254.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2977.517015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.517015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.517015 (E_RNA) where: Base-Base interactions energy: -2038.032 where: short stacking energy: -830.798 Base-Backbone interact. energy: -0.417 local terms energy: -939.067943 where: bonds (distance) C4'-P energy: -169.395 bonds (distance) P-C4' energy: -167.628 flat angles C4'-P-C4' energy: -204.260 flat angles P-C4'-P energy: -134.899 tors. eta vs tors. theta energy: -262.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2782.449683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.449683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.449683 (E_RNA) where: Base-Base interactions energy: -1909.893 where: short stacking energy: -769.390 Base-Backbone interact. energy: -3.059 local terms energy: -869.497388 where: bonds (distance) C4'-P energy: -162.632 bonds (distance) P-C4' energy: -178.227 flat angles C4'-P-C4' energy: -180.636 flat angles P-C4'-P energy: -121.609 tors. eta vs tors. theta energy: -226.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2645.112654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.112654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.112654 (E_RNA) where: Base-Base interactions energy: -1769.972 where: short stacking energy: -757.051 Base-Backbone interact. energy: -2.904 local terms energy: -872.236669 where: bonds (distance) C4'-P energy: -170.596 bonds (distance) P-C4' energy: -161.080 flat angles C4'-P-C4' energy: -199.020 flat angles P-C4'-P energy: -123.258 tors. eta vs tors. theta energy: -218.283 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: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2305.826254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.826254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.826254 (E_RNA) where: Base-Base interactions energy: -1542.365 where: short stacking energy: -655.423 Base-Backbone interact. energy: -1.043 local terms energy: -762.418488 where: bonds (distance) C4'-P energy: -142.310 bonds (distance) P-C4' energy: -159.236 flat angles C4'-P-C4' energy: -185.178 flat angles P-C4'-P energy: -111.871 tors. eta vs tors. theta energy: -163.824 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: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1909.397610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.397610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.397610 (E_RNA) where: Base-Base interactions energy: -1225.737 where: short stacking energy: -566.663 Base-Backbone interact. energy: 1.156 local terms energy: -684.816050 where: bonds (distance) C4'-P energy: -154.305 bonds (distance) P-C4' energy: -152.313 flat angles C4'-P-C4' energy: -146.905 flat angles P-C4'-P energy: -107.052 tors. eta vs tors. theta energy: -124.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1695.627383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.627383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.627383 (E_RNA) where: Base-Base interactions energy: -1036.248 where: short stacking energy: -486.833 Base-Backbone interact. energy: 4.367 local terms energy: -663.746029 where: bonds (distance) C4'-P energy: -144.099 bonds (distance) P-C4' energy: -174.269 flat angles C4'-P-C4' energy: -156.242 flat angles P-C4'-P energy: -91.058 tors. eta vs tors. theta energy: -98.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1103.893939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.893939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.893939 (E_RNA) where: Base-Base interactions energy: -554.373 where: short stacking energy: -300.973 Base-Backbone interact. energy: 1.229 local terms energy: -550.749823 where: bonds (distance) C4'-P energy: -127.677 bonds (distance) P-C4' energy: -160.381 flat angles C4'-P-C4' energy: -140.628 flat angles P-C4'-P energy: -86.932 tors. eta vs tors. theta energy: -35.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -792.182860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.182860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.182860 (E_RNA) where: Base-Base interactions energy: -338.515 where: short stacking energy: -223.979 Base-Backbone interact. energy: 3.364 local terms energy: -457.031623 where: bonds (distance) C4'-P energy: -145.122 bonds (distance) P-C4' energy: -171.957 flat angles C4'-P-C4' energy: -107.387 flat angles P-C4'-P energy: -58.914 tors. eta vs tors. theta energy: 26.350 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: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -706.648664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.648664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.648664 (E_RNA) where: Base-Base interactions energy: -275.097 where: short stacking energy: -185.876 Base-Backbone interact. energy: 7.844 local terms energy: -439.396177 where: bonds (distance) C4'-P energy: -141.763 bonds (distance) P-C4' energy: -139.173 flat angles C4'-P-C4' energy: -128.913 flat angles P-C4'-P energy: -65.400 tors. eta vs tors. theta energy: 35.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3027.249622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.249622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.249622 (E_RNA) where: Base-Base interactions energy: -2055.813 where: short stacking energy: -835.660 Base-Backbone interact. energy: -0.950 local terms energy: -970.487117 where: bonds (distance) C4'-P energy: -181.125 bonds (distance) P-C4' energy: -192.034 flat angles C4'-P-C4' energy: -202.061 flat angles P-C4'-P energy: -138.925 tors. eta vs tors. theta energy: -256.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2987.624442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.624442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.624442 (E_RNA) where: Base-Base interactions energy: -2028.304 where: short stacking energy: -838.997 Base-Backbone interact. energy: -2.714 local terms energy: -956.606371 where: bonds (distance) C4'-P energy: -172.569 bonds (distance) P-C4' energy: -177.823 flat angles C4'-P-C4' energy: -216.756 flat angles P-C4'-P energy: -132.472 tors. eta vs tors. theta energy: -256.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2763.174787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.174787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.174787 (E_RNA) where: Base-Base interactions energy: -1876.375 where: short stacking energy: -760.193 Base-Backbone interact. energy: -4.877 local terms energy: -881.922617 where: bonds (distance) C4'-P energy: -171.162 bonds (distance) P-C4' energy: -178.204 flat angles C4'-P-C4' energy: -195.863 flat angles P-C4'-P energy: -121.859 tors. eta vs tors. theta energy: -214.835 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: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2654.358674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.358674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.358674 (E_RNA) where: Base-Base interactions energy: -1800.421 where: short stacking energy: -762.478 Base-Backbone interact. energy: -1.655 local terms energy: -852.283470 where: bonds (distance) C4'-P energy: -163.854 bonds (distance) P-C4' energy: -169.926 flat angles C4'-P-C4' energy: -181.596 flat angles P-C4'-P energy: -108.891 tors. eta vs tors. theta energy: -228.016 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: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2273.873313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.873313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.873313 (E_RNA) where: Base-Base interactions energy: -1456.675 where: short stacking energy: -663.362 Base-Backbone interact. energy: -4.604 local terms energy: -812.594410 where: bonds (distance) C4'-P energy: -163.477 bonds (distance) P-C4' energy: -178.940 flat angles C4'-P-C4' energy: -175.113 flat angles P-C4'-P energy: -110.240 tors. eta vs tors. theta energy: -184.824 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: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1886.191526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.191526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.191526 (E_RNA) where: Base-Base interactions energy: -1182.240 where: short stacking energy: -517.018 Base-Backbone interact. energy: -3.416 local terms energy: -700.536011 where: bonds (distance) C4'-P energy: -152.979 bonds (distance) P-C4' energy: -153.509 flat angles C4'-P-C4' energy: -161.038 flat angles P-C4'-P energy: -115.829 tors. eta vs tors. theta energy: -117.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1705.371442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.371442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.371442 (E_RNA) where: Base-Base interactions energy: -1028.119 where: short stacking energy: -470.251 Base-Backbone interact. energy: 0.775 local terms energy: -678.027867 where: bonds (distance) C4'-P energy: -157.817 bonds (distance) P-C4' energy: -161.462 flat angles C4'-P-C4' energy: -160.951 flat angles P-C4'-P energy: -103.129 tors. eta vs tors. theta energy: -94.668 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: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1045.020271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.020271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.020271 (E_RNA) where: Base-Base interactions energy: -530.872 where: short stacking energy: -255.036 Base-Backbone interact. energy: 6.575 local terms energy: -520.723458 where: bonds (distance) C4'-P energy: -149.345 bonds (distance) P-C4' energy: -170.033 flat angles C4'-P-C4' energy: -157.345 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: 15.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -807.239051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.239051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.239051 (E_RNA) where: Base-Base interactions energy: -337.405 where: short stacking energy: -223.023 Base-Backbone interact. energy: -1.512 local terms energy: -468.322064 where: bonds (distance) C4'-P energy: -146.859 bonds (distance) P-C4' energy: -146.585 flat angles C4'-P-C4' energy: -132.631 flat angles P-C4'-P energy: -63.091 tors. eta vs tors. theta energy: 20.844 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: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -738.468827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.468827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.468827 (E_RNA) where: Base-Base interactions energy: -286.542 where: short stacking energy: -187.007 Base-Backbone interact. energy: 0.340 local terms energy: -452.266645 where: bonds (distance) C4'-P energy: -138.888 bonds (distance) P-C4' energy: -149.928 flat angles C4'-P-C4' energy: -115.489 flat angles P-C4'-P energy: -85.598 tors. eta vs tors. theta energy: 37.636 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: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3095.168326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.168326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.168326 (E_RNA) where: Base-Base interactions energy: -2129.504 where: short stacking energy: -883.214 Base-Backbone interact. energy: -1.567 local terms energy: -964.097725 where: bonds (distance) C4'-P energy: -188.578 bonds (distance) P-C4' energy: -162.240 flat angles C4'-P-C4' energy: -212.288 flat angles P-C4'-P energy: -139.230 tors. eta vs tors. theta energy: -261.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2961.685049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.685049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.685049 (E_RNA) where: Base-Base interactions energy: -2027.845 where: short stacking energy: -877.627 Base-Backbone interact. energy: 5.110 local terms energy: -938.950574 where: bonds (distance) C4'-P energy: -159.596 bonds (distance) P-C4' energy: -173.480 flat angles C4'-P-C4' energy: -210.218 flat angles P-C4'-P energy: -127.822 tors. eta vs tors. theta energy: -267.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2780.061822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.061822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.061822 (E_RNA) where: Base-Base interactions energy: -1879.952 where: short stacking energy: -806.384 Base-Backbone interact. energy: -3.850 local terms energy: -896.259247 where: bonds (distance) C4'-P energy: -163.218 bonds (distance) P-C4' energy: -158.032 flat angles C4'-P-C4' energy: -214.672 flat angles P-C4'-P energy: -119.383 tors. eta vs tors. theta energy: -240.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2676.465037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.465037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.465037 (E_RNA) where: Base-Base interactions energy: -1847.221 where: short stacking energy: -762.421 Base-Backbone interact. energy: 3.826 local terms energy: -833.069798 where: bonds (distance) C4'-P energy: -152.247 bonds (distance) P-C4' energy: -163.305 flat angles C4'-P-C4' energy: -186.161 flat angles P-C4'-P energy: -106.440 tors. eta vs tors. theta energy: -224.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2284.702004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.702004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.702004 (E_RNA) where: Base-Base interactions energy: -1504.539 where: short stacking energy: -618.142 Base-Backbone interact. energy: 4.406 local terms energy: -784.569069 where: bonds (distance) C4'-P energy: -163.304 bonds (distance) P-C4' energy: -148.423 flat angles C4'-P-C4' energy: -190.319 flat angles P-C4'-P energy: -120.310 tors. eta vs tors. theta energy: -162.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1909.004672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.004672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.004672 (E_RNA) where: Base-Base interactions energy: -1166.753 where: short stacking energy: -523.147 Base-Backbone interact. energy: -1.870 local terms energy: -740.381514 where: bonds (distance) C4'-P energy: -170.350 bonds (distance) P-C4' energy: -175.587 flat angles C4'-P-C4' energy: -173.103 flat angles P-C4'-P energy: -102.839 tors. eta vs tors. theta energy: -118.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1593.978393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.978393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.978393 (E_RNA) where: Base-Base interactions energy: -954.291 where: short stacking energy: -444.297 Base-Backbone interact. energy: -2.249 local terms energy: -637.438123 where: bonds (distance) C4'-P energy: -141.264 bonds (distance) P-C4' energy: -163.777 flat angles C4'-P-C4' energy: -156.915 flat angles P-C4'-P energy: -95.699 tors. eta vs tors. theta energy: -79.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1106.132788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.132788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.132788 (E_RNA) where: Base-Base interactions energy: -526.635 where: short stacking energy: -262.769 Base-Backbone interact. energy: 2.460 local terms energy: -581.957912 where: bonds (distance) C4'-P energy: -160.772 bonds (distance) P-C4' energy: -156.237 flat angles C4'-P-C4' energy: -144.554 flat angles P-C4'-P energy: -88.547 tors. eta vs tors. theta energy: -31.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -788.534070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.534070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.534070 (E_RNA) where: Base-Base interactions energy: -291.537 where: short stacking energy: -199.657 Base-Backbone interact. energy: 1.505 local terms energy: -498.502804 where: bonds (distance) C4'-P energy: -160.894 bonds (distance) P-C4' energy: -169.137 flat angles C4'-P-C4' energy: -123.602 flat angles P-C4'-P energy: -82.075 tors. eta vs tors. theta energy: 37.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -733.383295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.383295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.383295 (E_RNA) where: Base-Base interactions energy: -272.886 where: short stacking energy: -205.510 Base-Backbone interact. energy: 1.833 local terms energy: -462.330503 where: bonds (distance) C4'-P energy: -128.203 bonds (distance) P-C4' energy: -153.356 flat angles C4'-P-C4' energy: -128.129 flat angles P-C4'-P energy: -61.418 tors. eta vs tors. theta energy: 8.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3025.485801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.485801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.485801 (E_RNA) where: Base-Base interactions energy: -2076.113 where: short stacking energy: -869.750 Base-Backbone interact. energy: -1.657 local terms energy: -947.715748 where: bonds (distance) C4'-P energy: -167.646 bonds (distance) P-C4' energy: -183.376 flat angles C4'-P-C4' energy: -211.470 flat angles P-C4'-P energy: -132.310 tors. eta vs tors. theta energy: -252.914 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: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2981.280561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.280561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.280561 (E_RNA) where: Base-Base interactions energy: -2004.711 where: short stacking energy: -867.841 Base-Backbone interact. energy: -7.433 local terms energy: -969.136491 where: bonds (distance) C4'-P energy: -169.725 bonds (distance) P-C4' energy: -185.627 flat angles C4'-P-C4' energy: -211.690 flat angles P-C4'-P energy: -133.358 tors. eta vs tors. theta energy: -268.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2715.391006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.391006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.391006 (E_RNA) where: Base-Base interactions energy: -1807.955 where: short stacking energy: -740.764 Base-Backbone interact. energy: -4.104 local terms energy: -903.332049 where: bonds (distance) C4'-P energy: -184.843 bonds (distance) P-C4' energy: -176.060 flat angles C4'-P-C4' energy: -195.893 flat angles P-C4'-P energy: -130.635 tors. eta vs tors. theta energy: -215.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2597.566445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.566445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.566445 (E_RNA) where: Base-Base interactions energy: -1768.896 where: short stacking energy: -760.257 Base-Backbone interact. energy: -1.610 local terms energy: -827.060925 where: bonds (distance) C4'-P energy: -135.388 bonds (distance) P-C4' energy: -183.244 flat angles C4'-P-C4' energy: -191.808 flat angles P-C4'-P energy: -109.873 tors. eta vs tors. theta energy: -206.748 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: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2276.664361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.664361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.664361 (E_RNA) where: Base-Base interactions energy: -1496.269 where: short stacking energy: -659.007 Base-Backbone interact. energy: -0.329 local terms energy: -780.066550 where: bonds (distance) C4'-P energy: -155.334 bonds (distance) P-C4' energy: -171.930 flat angles C4'-P-C4' energy: -189.553 flat angles P-C4'-P energy: -101.666 tors. eta vs tors. theta energy: -161.584 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: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1859.244672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.244672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.244672 (E_RNA) where: Base-Base interactions energy: -1140.743 where: short stacking energy: -552.024 Base-Backbone interact. energy: -5.576 local terms energy: -712.926237 where: bonds (distance) C4'-P energy: -166.941 bonds (distance) P-C4' energy: -144.028 flat angles C4'-P-C4' energy: -162.952 flat angles P-C4'-P energy: -97.984 tors. eta vs tors. theta energy: -141.021 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: 7, replica: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1549.382793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.382793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.382793 (E_RNA) where: Base-Base interactions energy: -913.208 where: short stacking energy: -409.248 Base-Backbone interact. energy: -2.056 local terms energy: -634.118768 where: bonds (distance) C4'-P energy: -153.306 bonds (distance) P-C4' energy: -178.145 flat angles C4'-P-C4' energy: -132.914 flat angles P-C4'-P energy: -95.124 tors. eta vs tors. theta energy: -74.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1146.615887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.615887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.615887 (E_RNA) where: Base-Base interactions energy: -580.622 where: short stacking energy: -306.320 Base-Backbone interact. energy: 2.141 local terms energy: -568.134543 where: bonds (distance) C4'-P energy: -148.772 bonds (distance) P-C4' energy: -149.077 flat angles C4'-P-C4' energy: -147.192 flat angles P-C4'-P energy: -82.185 tors. eta vs tors. theta energy: -40.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -799.389256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.389256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.389256 (E_RNA) where: Base-Base interactions energy: -330.505 where: short stacking energy: -225.647 Base-Backbone interact. energy: 1.562 local terms energy: -470.445513 where: bonds (distance) C4'-P energy: -145.554 bonds (distance) P-C4' energy: -142.920 flat angles C4'-P-C4' energy: -124.466 flat angles P-C4'-P energy: -58.451 tors. eta vs tors. theta energy: 0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -686.643686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.643686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.643686 (E_RNA) where: Base-Base interactions energy: -268.820 where: short stacking energy: -186.522 Base-Backbone interact. energy: -0.572 local terms energy: -417.251367 where: bonds (distance) C4'-P energy: -130.616 bonds (distance) P-C4' energy: -134.461 flat angles C4'-P-C4' energy: -133.790 flat angles P-C4'-P energy: -59.765 tors. eta vs tors. theta energy: 41.381 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: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3062.954536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.954536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.954536 (E_RNA) where: Base-Base interactions energy: -2091.032 where: short stacking energy: -870.214 Base-Backbone interact. energy: -3.744 local terms energy: -968.178349 where: bonds (distance) C4'-P energy: -181.686 bonds (distance) P-C4' energy: -193.106 flat angles C4'-P-C4' energy: -202.056 flat angles P-C4'-P energy: -137.727 tors. eta vs tors. theta energy: -253.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2989.338359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.338359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.338359 (E_RNA) where: Base-Base interactions energy: -2044.263 where: short stacking energy: -844.396 Base-Backbone interact. energy: -4.711 local terms energy: -940.363437 where: bonds (distance) C4'-P energy: -180.063 bonds (distance) P-C4' energy: -176.297 flat angles C4'-P-C4' energy: -190.053 flat angles P-C4'-P energy: -131.805 tors. eta vs tors. theta energy: -262.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2743.704383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.704383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.704383 (E_RNA) where: Base-Base interactions energy: -1844.987 where: short stacking energy: -750.119 Base-Backbone interact. energy: -4.514 local terms energy: -894.203988 where: bonds (distance) C4'-P energy: -162.672 bonds (distance) P-C4' energy: -183.088 flat angles C4'-P-C4' energy: -195.955 flat angles P-C4'-P energy: -126.812 tors. eta vs tors. theta energy: -225.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2601.420550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.420550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.420550 (E_RNA) where: Base-Base interactions energy: -1717.515 where: short stacking energy: -758.402 Base-Backbone interact. energy: 0.704 local terms energy: -884.609123 where: bonds (distance) C4'-P energy: -164.195 bonds (distance) P-C4' energy: -172.247 flat angles C4'-P-C4' energy: -203.693 flat angles P-C4'-P energy: -131.200 tors. eta vs tors. theta energy: -213.273 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: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2260.583642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.583642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.583642 (E_RNA) where: Base-Base interactions energy: -1481.187 where: short stacking energy: -650.843 Base-Backbone interact. energy: -0.913 local terms energy: -778.482947 where: bonds (distance) C4'-P energy: -151.529 bonds (distance) P-C4' energy: -164.959 flat angles C4'-P-C4' energy: -174.460 flat angles P-C4'-P energy: -107.841 tors. eta vs tors. theta energy: -179.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1925.076810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.076810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.076810 (E_RNA) where: Base-Base interactions energy: -1211.511 where: short stacking energy: -537.008 Base-Backbone interact. energy: -4.762 local terms energy: -708.803213 where: bonds (distance) C4'-P energy: -161.143 bonds (distance) P-C4' energy: -159.626 flat angles C4'-P-C4' energy: -161.150 flat angles P-C4'-P energy: -97.501 tors. eta vs tors. theta energy: -129.383 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: 2 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1584.966099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.966099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.966099 (E_RNA) where: Base-Base interactions energy: -915.211 where: short stacking energy: -413.501 Base-Backbone interact. energy: 2.946 local terms energy: -672.701646 where: bonds (distance) C4'-P energy: -160.452 bonds (distance) P-C4' energy: -163.618 flat angles C4'-P-C4' energy: -184.139 flat angles P-C4'-P energy: -97.157 tors. eta vs tors. theta energy: -67.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1145.722043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.722043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.722043 (E_RNA) where: Base-Base interactions energy: -608.525 where: short stacking energy: -351.207 Base-Backbone interact. energy: -0.193 local terms energy: -537.004646 where: bonds (distance) C4'-P energy: -137.551 bonds (distance) P-C4' energy: -146.910 flat angles C4'-P-C4' energy: -140.919 flat angles P-C4'-P energy: -85.264 tors. eta vs tors. theta energy: -26.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -796.381031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.381031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.381031 (E_RNA) where: Base-Base interactions energy: -349.487 where: short stacking energy: -205.059 Base-Backbone interact. energy: -1.023 local terms energy: -445.871329 where: bonds (distance) C4'-P energy: -129.838 bonds (distance) P-C4' energy: -140.514 flat angles C4'-P-C4' energy: -126.182 flat angles P-C4'-P energy: -79.211 tors. eta vs tors. theta energy: 29.874 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: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -755.671551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.671551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.671551 (E_RNA) where: Base-Base interactions energy: -311.561 where: short stacking energy: -181.263 Base-Backbone interact. energy: -4.219 local terms energy: -439.890696 where: bonds (distance) C4'-P energy: -120.131 bonds (distance) P-C4' energy: -151.337 flat angles C4'-P-C4' energy: -135.130 flat angles P-C4'-P energy: -72.140 tors. eta vs tors. theta energy: 38.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3091.630507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.630507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.630507 (E_RNA) where: Base-Base interactions energy: -2124.228 where: short stacking energy: -899.518 Base-Backbone interact. energy: 1.743 local terms energy: -969.144922 where: bonds (distance) C4'-P energy: -179.885 bonds (distance) P-C4' energy: -173.124 flat angles C4'-P-C4' energy: -223.089 flat angles P-C4'-P energy: -135.988 tors. eta vs tors. theta energy: -257.059 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: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2952.500786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.500786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.500786 (E_RNA) where: Base-Base interactions energy: -2020.634 where: short stacking energy: -864.877 Base-Backbone interact. energy: -2.721 local terms energy: -929.145267 where: bonds (distance) C4'-P energy: -176.185 bonds (distance) P-C4' energy: -175.488 flat angles C4'-P-C4' energy: -192.377 flat angles P-C4'-P energy: -117.064 tors. eta vs tors. theta energy: -268.031 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: 6 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2683.077636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.077636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.077636 (E_RNA) where: Base-Base interactions energy: -1836.694 where: short stacking energy: -745.083 Base-Backbone interact. energy: -2.854 local terms energy: -843.529945 where: bonds (distance) C4'-P energy: -152.548 bonds (distance) P-C4' energy: -162.111 flat angles C4'-P-C4' energy: -195.556 flat angles P-C4'-P energy: -105.095 tors. eta vs tors. theta energy: -228.220 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: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2616.015536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.015536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.015536 (E_RNA) where: Base-Base interactions energy: -1745.399 where: short stacking energy: -745.958 Base-Backbone interact. energy: -0.683 local terms energy: -869.933501 where: bonds (distance) C4'-P energy: -172.003 bonds (distance) P-C4' energy: -149.585 flat angles C4'-P-C4' energy: -208.490 flat angles P-C4'-P energy: -125.315 tors. eta vs tors. theta energy: -214.540 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: 5, replica: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2318.520051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.520051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.520051 (E_RNA) where: Base-Base interactions energy: -1532.749 where: short stacking energy: -677.531 Base-Backbone interact. energy: -3.246 local terms energy: -782.525333 where: bonds (distance) C4'-P energy: -150.462 bonds (distance) P-C4' energy: -162.848 flat angles C4'-P-C4' energy: -177.834 flat angles P-C4'-P energy: -98.870 tors. eta vs tors. theta energy: -192.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1932.669607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.669607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.669607 (E_RNA) where: Base-Base interactions energy: -1205.022 where: short stacking energy: -560.149 Base-Backbone interact. energy: -1.263 local terms energy: -726.384857 where: bonds (distance) C4'-P energy: -142.838 bonds (distance) P-C4' energy: -176.351 flat angles C4'-P-C4' energy: -179.043 flat angles P-C4'-P energy: -111.438 tors. eta vs tors. theta energy: -116.714 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: 2 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1639.065822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.065822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.065822 (E_RNA) where: Base-Base interactions energy: -1023.204 where: short stacking energy: -467.272 Base-Backbone interact. energy: 6.091 local terms energy: -621.952381 where: bonds (distance) C4'-P energy: -148.472 bonds (distance) P-C4' energy: -151.913 flat angles C4'-P-C4' energy: -154.777 flat angles P-C4'-P energy: -77.735 tors. eta vs tors. theta energy: -89.056 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: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1214.839652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.839652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.839652 (E_RNA) where: Base-Base interactions energy: -640.043 where: short stacking energy: -335.922 Base-Backbone interact. energy: -2.945 local terms energy: -571.851166 where: bonds (distance) C4'-P energy: -140.777 bonds (distance) P-C4' energy: -172.488 flat angles C4'-P-C4' energy: -146.638 flat angles P-C4'-P energy: -73.466 tors. eta vs tors. theta energy: -38.483 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: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -849.808677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.808677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.808677 (E_RNA) where: Base-Base interactions energy: -332.286 where: short stacking energy: -204.364 Base-Backbone interact. energy: 2.046 local terms energy: -519.567966 where: bonds (distance) C4'-P energy: -148.249 bonds (distance) P-C4' energy: -144.796 flat angles C4'-P-C4' energy: -130.390 flat angles P-C4'-P energy: -108.553 tors. eta vs tors. theta energy: 12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -724.558893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.558893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.558893 (E_RNA) where: Base-Base interactions energy: -250.021 where: short stacking energy: -194.549 Base-Backbone interact. energy: 3.868 local terms energy: -478.405332 where: bonds (distance) C4'-P energy: -144.260 bonds (distance) P-C4' energy: -157.185 flat angles C4'-P-C4' energy: -122.619 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: 27.293 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: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3089.420463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.420463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.420463 (E_RNA) where: Base-Base interactions energy: -2104.128 where: short stacking energy: -899.247 Base-Backbone interact. energy: -6.633 local terms energy: -978.659572 where: bonds (distance) C4'-P energy: -186.206 bonds (distance) P-C4' energy: -192.574 flat angles C4'-P-C4' energy: -214.342 flat angles P-C4'-P energy: -127.226 tors. eta vs tors. theta energy: -258.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2975.125599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.125599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.125599 (E_RNA) where: Base-Base interactions energy: -2055.503 where: short stacking energy: -827.558 Base-Backbone interact. energy: 1.065 local terms energy: -920.687358 where: bonds (distance) C4'-P energy: -164.651 bonds (distance) P-C4' energy: -173.647 flat angles C4'-P-C4' energy: -198.416 flat angles P-C4'-P energy: -126.983 tors. eta vs tors. theta energy: -256.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2734.866917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.866917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.866917 (E_RNA) where: Base-Base interactions energy: -1833.182 where: short stacking energy: -755.090 Base-Backbone interact. energy: -4.817 local terms energy: -896.867584 where: bonds (distance) C4'-P energy: -169.105 bonds (distance) P-C4' energy: -166.574 flat angles C4'-P-C4' energy: -192.610 flat angles P-C4'-P energy: -141.349 tors. eta vs tors. theta energy: -227.229 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: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2630.206617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.206617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.206617 (E_RNA) where: Base-Base interactions energy: -1768.134 where: short stacking energy: -743.639 Base-Backbone interact. energy: 0.181 local terms energy: -862.253777 where: bonds (distance) C4'-P energy: -146.968 bonds (distance) P-C4' energy: -174.764 flat angles C4'-P-C4' energy: -198.309 flat angles P-C4'-P energy: -122.858 tors. eta vs tors. theta energy: -219.354 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: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2288.106102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.106102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.106102 (E_RNA) where: Base-Base interactions energy: -1476.710 where: short stacking energy: -610.004 Base-Backbone interact. energy: -1.938 local terms energy: -809.458056 where: bonds (distance) C4'-P energy: -167.782 bonds (distance) P-C4' energy: -163.553 flat angles C4'-P-C4' energy: -181.713 flat angles P-C4'-P energy: -131.545 tors. eta vs tors. theta energy: -164.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1947.902294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.902294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.902294 (E_RNA) where: Base-Base interactions energy: -1199.624 where: short stacking energy: -520.267 Base-Backbone interact. energy: -1.580 local terms energy: -746.697902 where: bonds (distance) C4'-P energy: -173.525 bonds (distance) P-C4' energy: -176.457 flat angles C4'-P-C4' energy: -163.342 flat angles P-C4'-P energy: -113.510 tors. eta vs tors. theta energy: -119.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1680.423802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.423802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.423802 (E_RNA) where: Base-Base interactions energy: -1004.627 where: short stacking energy: -472.076 Base-Backbone interact. energy: 1.084 local terms energy: -676.880630 where: bonds (distance) C4'-P energy: -173.531 bonds (distance) P-C4' energy: -149.033 flat angles C4'-P-C4' energy: -158.994 flat angles P-C4'-P energy: -90.917 tors. eta vs tors. theta energy: -104.406 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: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1174.084215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.084215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.084215 (E_RNA) where: Base-Base interactions energy: -619.921 where: short stacking energy: -344.356 Base-Backbone interact. energy: 3.733 local terms energy: -557.896098 where: bonds (distance) C4'-P energy: -147.599 bonds (distance) P-C4' energy: -167.576 flat angles C4'-P-C4' energy: -120.010 flat angles P-C4'-P energy: -81.242 tors. eta vs tors. theta energy: -41.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -777.950296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.950296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.950296 (E_RNA) where: Base-Base interactions energy: -316.726 where: short stacking energy: -205.891 Base-Backbone interact. energy: -0.805 local terms energy: -460.418673 where: bonds (distance) C4'-P energy: -158.779 bonds (distance) P-C4' energy: -147.915 flat angles C4'-P-C4' energy: -104.953 flat angles P-C4'-P energy: -74.739 tors. eta vs tors. theta energy: 25.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -699.689508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.689508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.689508 (E_RNA) where: Base-Base interactions energy: -278.545 where: short stacking energy: -195.412 Base-Backbone interact. energy: 1.784 local terms energy: -422.928120 where: bonds (distance) C4'-P energy: -147.969 bonds (distance) P-C4' energy: -133.215 flat angles C4'-P-C4' energy: -133.509 flat angles P-C4'-P energy: -44.599 tors. eta vs tors. theta energy: 36.364 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: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3057.088651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.088651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.088651 (E_RNA) where: Base-Base interactions energy: -2117.668 where: short stacking energy: -868.990 Base-Backbone interact. energy: -4.814 local terms energy: -934.607266 where: bonds (distance) C4'-P energy: -167.035 bonds (distance) P-C4' energy: -172.922 flat angles C4'-P-C4' energy: -196.381 flat angles P-C4'-P energy: -134.727 tors. eta vs tors. theta energy: -263.542 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: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2979.912826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.912826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.912826 (E_RNA) where: Base-Base interactions energy: -2038.921 where: short stacking energy: -861.580 Base-Backbone interact. energy: -5.442 local terms energy: -935.549740 where: bonds (distance) C4'-P energy: -162.735 bonds (distance) P-C4' energy: -183.106 flat angles C4'-P-C4' energy: -193.667 flat angles P-C4'-P energy: -134.220 tors. eta vs tors. theta energy: -261.822 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: 343 Temperature: 1.000000 Total energy: -2703.459951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.459951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.459951 (E_RNA) where: Base-Base interactions energy: -1837.986 where: short stacking energy: -769.621 Base-Backbone interact. energy: -0.255 local terms energy: -865.218642 where: bonds (distance) C4'-P energy: -148.498 bonds (distance) P-C4' energy: -171.555 flat angles C4'-P-C4' energy: -194.036 flat angles P-C4'-P energy: -125.825 tors. eta vs tors. theta energy: -225.304 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: 4, replica: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2660.831503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.831503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.831503 (E_RNA) where: Base-Base interactions energy: -1796.783 where: short stacking energy: -750.881 Base-Backbone interact. energy: -2.712 local terms energy: -861.336565 where: bonds (distance) C4'-P energy: -168.135 bonds (distance) P-C4' energy: -171.997 flat angles C4'-P-C4' energy: -167.214 flat angles P-C4'-P energy: -126.300 tors. eta vs tors. theta energy: -227.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2336.820626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.820626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.820626 (E_RNA) where: Base-Base interactions energy: -1517.390 where: short stacking energy: -652.209 Base-Backbone interact. energy: -1.503 local terms energy: -817.927822 where: bonds (distance) C4'-P energy: -165.295 bonds (distance) P-C4' energy: -177.385 flat angles C4'-P-C4' energy: -170.024 flat angles P-C4'-P energy: -114.560 tors. eta vs tors. theta energy: -190.664 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: 6, replica: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1869.190800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.190800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.190800 (E_RNA) where: Base-Base interactions energy: -1187.849 where: short stacking energy: -528.836 Base-Backbone interact. energy: -0.830 local terms energy: -680.511216 where: bonds (distance) C4'-P energy: -143.298 bonds (distance) P-C4' energy: -144.738 flat angles C4'-P-C4' energy: -174.941 flat angles P-C4'-P energy: -85.943 tors. eta vs tors. theta energy: -131.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1600.198422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.198422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.198422 (E_RNA) where: Base-Base interactions energy: -952.565 where: short stacking energy: -442.286 Base-Backbone interact. energy: -3.823 local terms energy: -643.810122 where: bonds (distance) C4'-P energy: -149.933 bonds (distance) P-C4' energy: -165.853 flat angles C4'-P-C4' energy: -138.210 flat angles P-C4'-P energy: -95.754 tors. eta vs tors. theta energy: -94.059 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: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1186.313146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.313146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.313146 (E_RNA) where: Base-Base interactions energy: -638.593 where: short stacking energy: -322.132 Base-Backbone interact. energy: -1.483 local terms energy: -546.236784 where: bonds (distance) C4'-P energy: -129.101 bonds (distance) P-C4' energy: -137.742 flat angles C4'-P-C4' energy: -151.322 flat angles P-C4'-P energy: -83.644 tors. eta vs tors. theta energy: -44.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -838.023895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.023895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.023895 (E_RNA) where: Base-Base interactions energy: -357.964 where: short stacking energy: -242.496 Base-Backbone interact. energy: 5.115 local terms energy: -485.175496 where: bonds (distance) C4'-P energy: -142.548 bonds (distance) P-C4' energy: -149.457 flat angles C4'-P-C4' energy: -123.949 flat angles P-C4'-P energy: -72.892 tors. eta vs tors. theta energy: 3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -733.444184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.444184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.444184 (E_RNA) where: Base-Base interactions energy: -288.059 where: short stacking energy: -192.896 Base-Backbone interact. energy: 4.134 local terms energy: -449.519553 where: bonds (distance) C4'-P energy: -133.686 bonds (distance) P-C4' energy: -137.522 flat angles C4'-P-C4' energy: -150.259 flat angles P-C4'-P energy: -68.734 tors. eta vs tors. theta energy: 40.681 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: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3035.619818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.619818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.619818 (E_RNA) where: Base-Base interactions energy: -2055.829 where: short stacking energy: -888.099 Base-Backbone interact. energy: -6.056 local terms energy: -973.735458 where: bonds (distance) C4'-P energy: -195.654 bonds (distance) P-C4' energy: -184.174 flat angles C4'-P-C4' energy: -200.637 flat angles P-C4'-P energy: -143.979 tors. eta vs tors. theta energy: -249.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2957.868106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.868106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.868106 (E_RNA) where: Base-Base interactions energy: -2020.793 where: short stacking energy: -853.107 Base-Backbone interact. energy: -4.567 local terms energy: -932.509031 where: bonds (distance) C4'-P energy: -157.792 bonds (distance) P-C4' energy: -164.635 flat angles C4'-P-C4' energy: -215.324 flat angles P-C4'-P energy: -139.627 tors. eta vs tors. theta energy: -255.131 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: 6 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2716.353104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.353104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.353104 (E_RNA) where: Base-Base interactions energy: -1820.804 where: short stacking energy: -756.781 Base-Backbone interact. energy: -2.964 local terms energy: -892.584411 where: bonds (distance) C4'-P energy: -167.614 bonds (distance) P-C4' energy: -184.195 flat angles C4'-P-C4' energy: -194.596 flat angles P-C4'-P energy: -120.195 tors. eta vs tors. theta energy: -225.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2644.790718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.790718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.790718 (E_RNA) where: Base-Base interactions energy: -1781.603 where: short stacking energy: -721.145 Base-Backbone interact. energy: -4.739 local terms energy: -858.448378 where: bonds (distance) C4'-P energy: -171.009 bonds (distance) P-C4' energy: -168.687 flat angles C4'-P-C4' energy: -194.495 flat angles P-C4'-P energy: -125.230 tors. eta vs tors. theta energy: -199.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2309.844131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.844131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.844131 (E_RNA) where: Base-Base interactions energy: -1500.943 where: short stacking energy: -668.926 Base-Backbone interact. energy: -2.628 local terms energy: -806.273091 where: bonds (distance) C4'-P energy: -160.812 bonds (distance) P-C4' energy: -159.607 flat angles C4'-P-C4' energy: -185.628 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -194.601 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: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1914.176172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.176172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.176172 (E_RNA) where: Base-Base interactions energy: -1202.038 where: short stacking energy: -512.488 Base-Backbone interact. energy: -3.638 local terms energy: -708.500816 where: bonds (distance) C4'-P energy: -147.840 bonds (distance) P-C4' energy: -156.213 flat angles C4'-P-C4' energy: -168.645 flat angles P-C4'-P energy: -113.284 tors. eta vs tors. theta energy: -122.518 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: 2 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1638.222740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.222740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.222740 (E_RNA) where: Base-Base interactions energy: -991.185 where: short stacking energy: -434.010 Base-Backbone interact. energy: 3.781 local terms energy: -650.818512 where: bonds (distance) C4'-P energy: -159.814 bonds (distance) P-C4' energy: -143.770 flat angles C4'-P-C4' energy: -159.280 flat angles P-C4'-P energy: -99.219 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: 8, replica: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1169.348791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.348791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.348791 (E_RNA) where: Base-Base interactions energy: -605.676 where: short stacking energy: -325.871 Base-Backbone interact. energy: -4.478 local terms energy: -559.195480 where: bonds (distance) C4'-P energy: -149.311 bonds (distance) P-C4' energy: -151.545 flat angles C4'-P-C4' energy: -137.728 flat angles P-C4'-P energy: -92.299 tors. eta vs tors. theta energy: -28.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -846.079764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.079764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.079764 (E_RNA) where: Base-Base interactions energy: -349.407 where: short stacking energy: -214.817 Base-Backbone interact. energy: -3.708 local terms energy: -492.965200 where: bonds (distance) C4'-P energy: -149.049 bonds (distance) P-C4' energy: -141.403 flat angles C4'-P-C4' energy: -129.313 flat angles P-C4'-P energy: -76.832 tors. eta vs tors. theta energy: 3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -749.857529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.857529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.857529 (E_RNA) where: Base-Base interactions energy: -324.616 where: short stacking energy: -198.129 Base-Backbone interact. energy: 0.144 local terms energy: -425.386028 where: bonds (distance) C4'-P energy: -131.848 bonds (distance) P-C4' energy: -140.514 flat angles C4'-P-C4' energy: -119.834 flat angles P-C4'-P energy: -67.994 tors. eta vs tors. theta energy: 34.804 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: 7 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3054.550836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.550836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.550836 (E_RNA) where: Base-Base interactions energy: -2095.140 where: short stacking energy: -883.928 Base-Backbone interact. energy: -6.866 local terms energy: -952.544988 where: bonds (distance) C4'-P energy: -177.422 bonds (distance) P-C4' energy: -196.950 flat angles C4'-P-C4' energy: -185.039 flat angles P-C4'-P energy: -140.514 tors. eta vs tors. theta energy: -252.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2955.128793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.128793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.128793 (E_RNA) where: Base-Base interactions energy: -2021.079 where: short stacking energy: -869.327 Base-Backbone interact. energy: -6.173 local terms energy: -927.876253 where: bonds (distance) C4'-P energy: -186.268 bonds (distance) P-C4' energy: -174.758 flat angles C4'-P-C4' energy: -190.810 flat angles P-C4'-P energy: -124.506 tors. eta vs tors. theta energy: -251.534 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: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2726.628259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.628259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.628259 (E_RNA) where: Base-Base interactions energy: -1821.621 where: short stacking energy: -770.963 Base-Backbone interact. energy: -6.224 local terms energy: -898.783896 where: bonds (distance) C4'-P energy: -174.538 bonds (distance) P-C4' energy: -184.051 flat angles C4'-P-C4' energy: -189.696 flat angles P-C4'-P energy: -118.669 tors. eta vs tors. theta energy: -231.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2667.432184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.432184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.432184 (E_RNA) where: Base-Base interactions energy: -1826.792 where: short stacking energy: -729.760 Base-Backbone interact. energy: -2.838 local terms energy: -837.801612 where: bonds (distance) C4'-P energy: -158.753 bonds (distance) P-C4' energy: -168.629 flat angles C4'-P-C4' energy: -170.770 flat angles P-C4'-P energy: -137.295 tors. eta vs tors. theta energy: -202.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2343.916385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.916385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.916385 (E_RNA) where: Base-Base interactions energy: -1541.302 where: short stacking energy: -643.251 Base-Backbone interact. energy: 5.258 local terms energy: -807.873087 where: bonds (distance) C4'-P energy: -156.396 bonds (distance) P-C4' energy: -174.793 flat angles C4'-P-C4' energy: -177.747 flat angles P-C4'-P energy: -112.766 tors. eta vs tors. theta energy: -186.171 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: 345 Temperature: 1.150000 Total energy: -1908.614105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.614105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.614105 (E_RNA) where: Base-Base interactions energy: -1203.247 where: short stacking energy: -532.137 Base-Backbone interact. energy: 5.353 local terms energy: -710.720142 where: bonds (distance) C4'-P energy: -157.958 bonds (distance) P-C4' energy: -146.941 flat angles C4'-P-C4' energy: -185.291 flat angles P-C4'-P energy: -90.633 tors. eta vs tors. theta energy: -129.898 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: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1737.647137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.647137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.647137 (E_RNA) where: Base-Base interactions energy: -1025.170 where: short stacking energy: -479.029 Base-Backbone interact. energy: 2.224 local terms energy: -714.700929 where: bonds (distance) C4'-P energy: -177.348 bonds (distance) P-C4' energy: -164.548 flat angles C4'-P-C4' energy: -174.035 flat angles P-C4'-P energy: -106.902 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: 8, replica: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1136.754860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.754860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.754860 (E_RNA) where: Base-Base interactions energy: -560.140 where: short stacking energy: -311.135 Base-Backbone interact. energy: -4.068 local terms energy: -572.546987 where: bonds (distance) C4'-P energy: -148.854 bonds (distance) P-C4' energy: -171.775 flat angles C4'-P-C4' energy: -154.316 flat angles P-C4'-P energy: -63.516 tors. eta vs tors. theta energy: -34.086 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: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -789.996276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.996276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.996276 (E_RNA) where: Base-Base interactions energy: -308.782 where: short stacking energy: -215.099 Base-Backbone interact. energy: -1.892 local terms energy: -479.322526 where: bonds (distance) C4'-P energy: -142.834 bonds (distance) P-C4' energy: -167.922 flat angles C4'-P-C4' energy: -106.194 flat angles P-C4'-P energy: -76.205 tors. eta vs tors. theta energy: 13.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -798.971119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.971119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.971119 (E_RNA) where: Base-Base interactions energy: -350.486 where: short stacking energy: -195.621 Base-Backbone interact. energy: 1.327 local terms energy: -449.812151 where: bonds (distance) C4'-P energy: -131.670 bonds (distance) P-C4' energy: -164.594 flat angles C4'-P-C4' energy: -109.018 flat angles P-C4'-P energy: -87.078 tors. eta vs tors. theta energy: 42.548 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: 1, replica: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3042.788127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.788127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.788127 (E_RNA) where: Base-Base interactions energy: -2090.970 where: short stacking energy: -849.595 Base-Backbone interact. energy: -6.510 local terms energy: -945.307515 where: bonds (distance) C4'-P energy: -176.818 bonds (distance) P-C4' energy: -181.540 flat angles C4'-P-C4' energy: -202.931 flat angles P-C4'-P energy: -137.205 tors. eta vs tors. theta energy: -246.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2950.090907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.090907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.090907 (E_RNA) where: Base-Base interactions energy: -1993.454 where: short stacking energy: -837.735 Base-Backbone interact. energy: -3.455 local terms energy: -953.181787 where: bonds (distance) C4'-P energy: -171.939 bonds (distance) P-C4' energy: -197.649 flat angles C4'-P-C4' energy: -198.942 flat angles P-C4'-P energy: -133.830 tors. eta vs tors. theta energy: -250.822 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: 346 Temperature: 1.000000 Total energy: -2714.471691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.471691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.471691 (E_RNA) where: Base-Base interactions energy: -1848.905 where: short stacking energy: -767.319 Base-Backbone interact. energy: -1.178 local terms energy: -864.389089 where: bonds (distance) C4'-P energy: -160.102 bonds (distance) P-C4' energy: -164.960 flat angles C4'-P-C4' energy: -192.656 flat angles P-C4'-P energy: -122.453 tors. eta vs tors. theta energy: -224.217 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: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2637.897562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.897562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.897562 (E_RNA) where: Base-Base interactions energy: -1768.058 where: short stacking energy: -750.621 Base-Backbone interact. energy: -2.147 local terms energy: -867.692529 where: bonds (distance) C4'-P energy: -145.664 bonds (distance) P-C4' energy: -180.131 flat angles C4'-P-C4' energy: -205.571 flat angles P-C4'-P energy: -126.758 tors. eta vs tors. theta energy: -209.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2326.520260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.520260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.520260 (E_RNA) where: Base-Base interactions energy: -1534.311 where: short stacking energy: -643.912 Base-Backbone interact. energy: -0.856 local terms energy: -791.353305 where: bonds (distance) C4'-P energy: -149.456 bonds (distance) P-C4' energy: -169.480 flat angles C4'-P-C4' energy: -168.249 flat angles P-C4'-P energy: -122.221 tors. eta vs tors. theta energy: -181.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1916.091485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.091485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.091485 (E_RNA) where: Base-Base interactions energy: -1210.742 where: short stacking energy: -512.998 Base-Backbone interact. energy: -2.367 local terms energy: -702.981846 where: bonds (distance) C4'-P energy: -141.215 bonds (distance) P-C4' energy: -156.439 flat angles C4'-P-C4' energy: -173.819 flat angles P-C4'-P energy: -108.290 tors. eta vs tors. theta energy: -123.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1658.961176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.961176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.961176 (E_RNA) where: Base-Base interactions energy: -999.706 where: short stacking energy: -475.984 Base-Backbone interact. energy: -2.133 local terms energy: -657.122436 where: bonds (distance) C4'-P energy: -158.502 bonds (distance) P-C4' energy: -165.437 flat angles C4'-P-C4' energy: -144.863 flat angles P-C4'-P energy: -96.732 tors. eta vs tors. theta energy: -91.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1112.556378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.556378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.556378 (E_RNA) where: Base-Base interactions energy: -577.387 where: short stacking energy: -304.428 Base-Backbone interact. energy: -3.611 local terms energy: -531.558668 where: bonds (distance) C4'-P energy: -158.194 bonds (distance) P-C4' energy: -163.345 flat angles C4'-P-C4' energy: -143.449 flat angles P-C4'-P energy: -70.439 tors. eta vs tors. theta energy: 3.868 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: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -801.478746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.478746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.478746 (E_RNA) where: Base-Base interactions energy: -340.842 where: short stacking energy: -221.175 Base-Backbone interact. energy: -4.319 local terms energy: -456.317639 where: bonds (distance) C4'-P energy: -139.686 bonds (distance) P-C4' energy: -158.939 flat angles C4'-P-C4' energy: -102.768 flat angles P-C4'-P energy: -71.951 tors. eta vs tors. theta energy: 17.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -794.854056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.854056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.854056 (E_RNA) where: Base-Base interactions energy: -318.015 where: short stacking energy: -181.128 Base-Backbone interact. energy: 1.409 local terms energy: -478.248587 where: bonds (distance) C4'-P energy: -150.473 bonds (distance) P-C4' energy: -139.051 flat angles C4'-P-C4' energy: -140.730 flat angles P-C4'-P energy: -72.715 tors. eta vs tors. theta energy: 24.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3055.182012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.182012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.182012 (E_RNA) where: Base-Base interactions energy: -2112.606 where: short stacking energy: -918.734 Base-Backbone interact. energy: -2.511 local terms energy: -940.064452 where: bonds (distance) C4'-P energy: -178.245 bonds (distance) P-C4' energy: -171.308 flat angles C4'-P-C4' energy: -184.087 flat angles P-C4'-P energy: -151.098 tors. eta vs tors. theta energy: -255.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2919.971687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.971687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.971687 (E_RNA) where: Base-Base interactions energy: -1958.473 where: short stacking energy: -815.907 Base-Backbone interact. energy: -4.778 local terms energy: -956.720672 where: bonds (distance) C4'-P energy: -177.761 bonds (distance) P-C4' energy: -182.066 flat angles C4'-P-C4' energy: -209.789 flat angles P-C4'-P energy: -131.432 tors. eta vs tors. theta energy: -255.671 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: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2790.342295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.342295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.342295 (E_RNA) where: Base-Base interactions energy: -1885.288 where: short stacking energy: -785.906 Base-Backbone interact. energy: -5.308 local terms energy: -899.746086 where: bonds (distance) C4'-P energy: -158.259 bonds (distance) P-C4' energy: -175.538 flat angles C4'-P-C4' energy: -193.161 flat angles P-C4'-P energy: -131.362 tors. eta vs tors. theta energy: -241.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2643.052533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.052533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.052533 (E_RNA) where: Base-Base interactions energy: -1789.161 where: short stacking energy: -740.850 Base-Backbone interact. energy: -0.098 local terms energy: -853.793068 where: bonds (distance) C4'-P energy: -165.792 bonds (distance) P-C4' energy: -162.549 flat angles C4'-P-C4' energy: -184.242 flat angles P-C4'-P energy: -124.672 tors. eta vs tors. theta energy: -216.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2404.398585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.398585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.398585 (E_RNA) where: Base-Base interactions energy: -1579.751 where: short stacking energy: -685.056 Base-Backbone interact. energy: 2.838 local terms energy: -827.485812 where: bonds (distance) C4'-P energy: -164.220 bonds (distance) P-C4' energy: -168.131 flat angles C4'-P-C4' energy: -186.772 flat angles P-C4'-P energy: -121.522 tors. eta vs tors. theta energy: -186.841 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: 6, replica: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1907.711312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.711312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.711312 (E_RNA) where: Base-Base interactions energy: -1193.555 where: short stacking energy: -532.145 Base-Backbone interact. energy: 0.677 local terms energy: -714.833393 where: bonds (distance) C4'-P energy: -138.345 bonds (distance) P-C4' energy: -162.877 flat angles C4'-P-C4' energy: -182.703 flat angles P-C4'-P energy: -110.252 tors. eta vs tors. theta energy: -120.656 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: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1638.040102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.040102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.040102 (E_RNA) where: Base-Base interactions energy: -1006.434 where: short stacking energy: -450.073 Base-Backbone interact. energy: -0.480 local terms energy: -631.125903 where: bonds (distance) C4'-P energy: -157.960 bonds (distance) P-C4' energy: -150.352 flat angles C4'-P-C4' energy: -156.766 flat angles P-C4'-P energy: -84.820 tors. eta vs tors. theta energy: -81.228 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: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1066.135690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.135690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.135690 (E_RNA) where: Base-Base interactions energy: -538.919 where: short stacking energy: -278.307 Base-Backbone interact. energy: 1.640 local terms energy: -528.855932 where: bonds (distance) C4'-P energy: -148.914 bonds (distance) P-C4' energy: -147.750 flat angles C4'-P-C4' energy: -115.296 flat angles P-C4'-P energy: -111.206 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -760.371446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.371446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.371446 (E_RNA) where: Base-Base interactions energy: -280.703 where: short stacking energy: -222.891 Base-Backbone interact. energy: 2.973 local terms energy: -482.641306 where: bonds (distance) C4'-P energy: -137.412 bonds (distance) P-C4' energy: -147.104 flat angles C4'-P-C4' energy: -141.022 flat angles P-C4'-P energy: -81.697 tors. eta vs tors. theta energy: 24.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -741.701598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.701598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.701598 (E_RNA) where: Base-Base interactions energy: -271.532 where: short stacking energy: -192.711 Base-Backbone interact. energy: -1.815 local terms energy: -468.354324 where: bonds (distance) C4'-P energy: -144.240 bonds (distance) P-C4' energy: -134.231 flat angles C4'-P-C4' energy: -116.345 flat angles P-C4'-P energy: -86.103 tors. eta vs tors. theta energy: 12.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3057.212655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.212655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.212655 (E_RNA) where: Base-Base interactions energy: -2109.668 where: short stacking energy: -899.697 Base-Backbone interact. energy: -3.011 local terms energy: -944.533640 where: bonds (distance) C4'-P energy: -181.421 bonds (distance) P-C4' energy: -170.351 flat angles C4'-P-C4' energy: -199.414 flat angles P-C4'-P energy: -138.760 tors. eta vs tors. theta energy: -254.588 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: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2912.502730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.502730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.502730 (E_RNA) where: Base-Base interactions energy: -1966.546 where: short stacking energy: -812.348 Base-Backbone interact. energy: -3.119 local terms energy: -942.837557 where: bonds (distance) C4'-P energy: -186.516 bonds (distance) P-C4' energy: -178.757 flat angles C4'-P-C4' energy: -197.960 flat angles P-C4'-P energy: -138.576 tors. eta vs tors. theta energy: -241.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2791.220772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.220772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.220772 (E_RNA) where: Base-Base interactions energy: -1899.539 where: short stacking energy: -774.502 Base-Backbone interact. energy: -4.698 local terms energy: -886.983662 where: bonds (distance) C4'-P energy: -152.429 bonds (distance) P-C4' energy: -166.688 flat angles C4'-P-C4' energy: -201.556 flat angles P-C4'-P energy: -117.516 tors. eta vs tors. theta energy: -248.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2638.251088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.251088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.251088 (E_RNA) where: Base-Base interactions energy: -1776.881 where: short stacking energy: -759.779 Base-Backbone interact. energy: -4.485 local terms energy: -856.884940 where: bonds (distance) C4'-P energy: -155.709 bonds (distance) P-C4' energy: -165.089 flat angles C4'-P-C4' energy: -187.241 flat angles P-C4'-P energy: -128.178 tors. eta vs tors. theta energy: -220.668 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: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2385.557993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.557993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.557993 (E_RNA) where: Base-Base interactions energy: -1617.032 where: short stacking energy: -690.456 Base-Backbone interact. energy: -0.800 local terms energy: -767.726716 where: bonds (distance) C4'-P energy: -149.903 bonds (distance) P-C4' energy: -148.041 flat angles C4'-P-C4' energy: -166.524 flat angles P-C4'-P energy: -107.831 tors. eta vs tors. theta energy: -195.428 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: 348 Temperature: 1.150000 Total energy: -1870.882699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.882699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.882699 (E_RNA) where: Base-Base interactions energy: -1184.015 where: short stacking energy: -519.982 Base-Backbone interact. energy: -4.348 local terms energy: -682.518909 where: bonds (distance) C4'-P energy: -156.478 bonds (distance) P-C4' energy: -152.882 flat angles C4'-P-C4' energy: -154.436 flat angles P-C4'-P energy: -106.808 tors. eta vs tors. theta energy: -111.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1606.121007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.121007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.121007 (E_RNA) where: Base-Base interactions energy: -954.695 where: short stacking energy: -432.548 Base-Backbone interact. energy: -2.329 local terms energy: -649.097388 where: bonds (distance) C4'-P energy: -140.755 bonds (distance) P-C4' energy: -171.163 flat angles C4'-P-C4' energy: -145.578 flat angles P-C4'-P energy: -101.194 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: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1127.944154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.944154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.944154 (E_RNA) where: Base-Base interactions energy: -598.089 where: short stacking energy: -306.292 Base-Backbone interact. energy: -2.701 local terms energy: -527.154516 where: bonds (distance) C4'-P energy: -144.751 bonds (distance) P-C4' energy: -141.238 flat angles C4'-P-C4' energy: -120.856 flat angles P-C4'-P energy: -92.101 tors. eta vs tors. theta energy: -28.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -770.120032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.120032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.120032 (E_RNA) where: Base-Base interactions energy: -315.997 where: short stacking energy: -222.584 Base-Backbone interact. energy: 0.655 local terms energy: -454.777818 where: bonds (distance) C4'-P energy: -118.564 bonds (distance) P-C4' energy: -167.065 flat angles C4'-P-C4' energy: -103.799 flat angles P-C4'-P energy: -104.587 tors. eta vs tors. theta energy: 39.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -712.227548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.227548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.227548 (E_RNA) where: Base-Base interactions energy: -260.852 where: short stacking energy: -171.920 Base-Backbone interact. energy: 1.245 local terms energy: -452.620389 where: bonds (distance) C4'-P energy: -151.337 bonds (distance) P-C4' energy: -156.841 flat angles C4'-P-C4' energy: -116.581 flat angles P-C4'-P energy: -72.641 tors. eta vs tors. theta energy: 44.780 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: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3060.995981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.995981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.995981 (E_RNA) where: Base-Base interactions energy: -2075.636 where: short stacking energy: -908.958 Base-Backbone interact. energy: -3.226 local terms energy: -982.133414 where: bonds (distance) C4'-P energy: -170.396 bonds (distance) P-C4' energy: -194.888 flat angles C4'-P-C4' energy: -211.669 flat angles P-C4'-P energy: -144.729 tors. eta vs tors. theta energy: -260.452 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: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2931.201352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.201352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.201352 (E_RNA) where: Base-Base interactions energy: -1980.524 where: short stacking energy: -832.655 Base-Backbone interact. energy: -3.476 local terms energy: -947.200915 where: bonds (distance) C4'-P energy: -187.477 bonds (distance) P-C4' energy: -176.633 flat angles C4'-P-C4' energy: -197.850 flat angles P-C4'-P energy: -134.667 tors. eta vs tors. theta energy: -250.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2819.910175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.910175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.910175 (E_RNA) where: Base-Base interactions energy: -1915.285 where: short stacking energy: -818.650 Base-Backbone interact. energy: -4.546 local terms energy: -900.079130 where: bonds (distance) C4'-P energy: -169.840 bonds (distance) P-C4' energy: -156.276 flat angles C4'-P-C4' energy: -197.809 flat angles P-C4'-P energy: -131.596 tors. eta vs tors. theta energy: -244.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2643.337939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.337939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.337939 (E_RNA) where: Base-Base interactions energy: -1786.658 where: short stacking energy: -776.296 Base-Backbone interact. energy: 2.911 local terms energy: -859.590841 where: bonds (distance) C4'-P energy: -158.158 bonds (distance) P-C4' energy: -162.657 flat angles C4'-P-C4' energy: -186.215 flat angles P-C4'-P energy: -131.291 tors. eta vs tors. theta energy: -221.270 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: 5, replica: 4 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2450.115501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.115501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.115501 (E_RNA) where: Base-Base interactions energy: -1615.978 where: short stacking energy: -700.180 Base-Backbone interact. energy: 4.028 local terms energy: -838.165773 where: bonds (distance) C4'-P energy: -164.437 bonds (distance) P-C4' energy: -172.223 flat angles C4'-P-C4' energy: -188.603 flat angles P-C4'-P energy: -117.326 tors. eta vs tors. theta energy: -195.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1892.405235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.405235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.405235 (E_RNA) where: Base-Base interactions energy: -1228.552 where: short stacking energy: -542.464 Base-Backbone interact. energy: 4.840 local terms energy: -668.693201 where: bonds (distance) C4'-P energy: -127.351 bonds (distance) P-C4' energy: -146.704 flat angles C4'-P-C4' energy: -172.665 flat angles P-C4'-P energy: -103.273 tors. eta vs tors. theta energy: -118.701 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: 2 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1728.443978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.443978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.443978 (E_RNA) where: Base-Base interactions energy: -1101.351 where: short stacking energy: -498.529 Base-Backbone interact. energy: 0.039 local terms energy: -627.132294 where: bonds (distance) C4'-P energy: -139.502 bonds (distance) P-C4' energy: -153.672 flat angles C4'-P-C4' energy: -149.712 flat angles P-C4'-P energy: -91.896 tors. eta vs tors. theta energy: -92.350 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: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1169.957585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.957585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.957585 (E_RNA) where: Base-Base interactions energy: -604.833 where: short stacking energy: -307.070 Base-Backbone interact. energy: 4.160 local terms energy: -569.284869 where: bonds (distance) C4'-P energy: -139.669 bonds (distance) P-C4' energy: -153.845 flat angles C4'-P-C4' energy: -156.233 flat angles P-C4'-P energy: -95.663 tors. eta vs tors. theta energy: -23.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -842.966781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.966781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.966781 (E_RNA) where: Base-Base interactions energy: -363.099 where: short stacking energy: -206.290 Base-Backbone interact. energy: 0.695 local terms energy: -480.563073 where: bonds (distance) C4'-P energy: -157.954 bonds (distance) P-C4' energy: -165.566 flat angles C4'-P-C4' energy: -93.232 flat angles P-C4'-P energy: -74.483 tors. eta vs tors. theta energy: 10.671 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: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -663.454718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.454718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.454718 (E_RNA) where: Base-Base interactions energy: -232.455 where: short stacking energy: -182.375 Base-Backbone interact. energy: 14.967 local terms energy: -445.966442 where: bonds (distance) C4'-P energy: -135.694 bonds (distance) P-C4' energy: -161.116 flat angles C4'-P-C4' energy: -123.237 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: 38.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3073.252782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.252782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.252782 (E_RNA) where: Base-Base interactions energy: -2096.069 where: short stacking energy: -888.679 Base-Backbone interact. energy: -4.578 local terms energy: -972.606104 where: bonds (distance) C4'-P energy: -174.294 bonds (distance) P-C4' energy: -186.007 flat angles C4'-P-C4' energy: -213.902 flat angles P-C4'-P energy: -135.329 tors. eta vs tors. theta energy: -263.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2973.368752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.368752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.368752 (E_RNA) where: Base-Base interactions energy: -2030.760 where: short stacking energy: -852.564 Base-Backbone interact. energy: -3.409 local terms energy: -939.200366 where: bonds (distance) C4'-P energy: -173.712 bonds (distance) P-C4' energy: -182.374 flat angles C4'-P-C4' energy: -204.705 flat angles P-C4'-P energy: -124.958 tors. eta vs tors. theta energy: -253.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2815.168820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.168820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.168820 (E_RNA) where: Base-Base interactions energy: -1907.520 where: short stacking energy: -797.790 Base-Backbone interact. energy: -4.173 local terms energy: -903.476499 where: bonds (distance) C4'-P energy: -165.380 bonds (distance) P-C4' energy: -185.785 flat angles C4'-P-C4' energy: -182.655 flat angles P-C4'-P energy: -128.542 tors. eta vs tors. theta energy: -241.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2624.922304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.922304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.922304 (E_RNA) where: Base-Base interactions energy: -1753.324 where: short stacking energy: -741.449 Base-Backbone interact. energy: 2.105 local terms energy: -873.703096 where: bonds (distance) C4'-P energy: -159.294 bonds (distance) P-C4' energy: -177.840 flat angles C4'-P-C4' energy: -190.069 flat angles P-C4'-P energy: -123.613 tors. eta vs tors. theta energy: -222.887 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: 4 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2431.460171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.460171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.460171 (E_RNA) where: Base-Base interactions energy: -1580.297 where: short stacking energy: -692.329 Base-Backbone interact. energy: -4.285 local terms energy: -846.877710 where: bonds (distance) C4'-P energy: -168.176 bonds (distance) P-C4' energy: -169.289 flat angles C4'-P-C4' energy: -200.816 flat angles P-C4'-P energy: -126.918 tors. eta vs tors. theta energy: -181.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1815.952876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.952876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.952876 (E_RNA) where: Base-Base interactions energy: -1134.684 where: short stacking energy: -518.403 Base-Backbone interact. energy: -5.153 local terms energy: -676.116184 where: bonds (distance) C4'-P energy: -158.726 bonds (distance) P-C4' energy: -137.909 flat angles C4'-P-C4' energy: -161.587 flat angles P-C4'-P energy: -103.722 tors. eta vs tors. theta energy: -114.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1761.323910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.323910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.323910 (E_RNA) where: Base-Base interactions energy: -1073.194 where: short stacking energy: -486.522 Base-Backbone interact. energy: -4.606 local terms energy: -683.523435 where: bonds (distance) C4'-P energy: -157.224 bonds (distance) P-C4' energy: -160.328 flat angles C4'-P-C4' energy: -169.522 flat angles P-C4'-P energy: -96.068 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: 8, replica: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1162.627567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.627567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.627567 (E_RNA) where: Base-Base interactions energy: -605.764 where: short stacking energy: -323.216 Base-Backbone interact. energy: 3.476 local terms energy: -560.339432 where: bonds (distance) C4'-P energy: -137.642 bonds (distance) P-C4' energy: -168.673 flat angles C4'-P-C4' energy: -155.128 flat angles P-C4'-P energy: -78.443 tors. eta vs tors. theta energy: -20.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -823.320074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.320074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.320074 (E_RNA) where: Base-Base interactions energy: -311.218 where: short stacking energy: -217.130 Base-Backbone interact. energy: 0.122 local terms energy: -512.224326 where: bonds (distance) C4'-P energy: -133.601 bonds (distance) P-C4' energy: -159.133 flat angles C4'-P-C4' energy: -143.244 flat angles P-C4'-P energy: -83.069 tors. eta vs tors. theta energy: 6.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -636.822545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.822545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.822545 (E_RNA) where: Base-Base interactions energy: -183.629 where: short stacking energy: -157.287 Base-Backbone interact. energy: 1.054 local terms energy: -454.247791 where: bonds (distance) C4'-P energy: -136.701 bonds (distance) P-C4' energy: -158.405 flat angles C4'-P-C4' energy: -118.048 flat angles P-C4'-P energy: -84.706 tors. eta vs tors. theta energy: 43.611 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: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3090.114562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.114562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.114562 (E_RNA) where: Base-Base interactions energy: -2108.184 where: short stacking energy: -892.576 Base-Backbone interact. energy: -4.014 local terms energy: -977.916748 where: bonds (distance) C4'-P energy: -185.232 bonds (distance) P-C4' energy: -184.159 flat angles C4'-P-C4' energy: -204.746 flat angles P-C4'-P energy: -143.557 tors. eta vs tors. theta energy: -260.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2955.758014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.758014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.758014 (E_RNA) where: Base-Base interactions energy: -2026.430 where: short stacking energy: -858.215 Base-Backbone interact. energy: -1.234 local terms energy: -928.093654 where: bonds (distance) C4'-P energy: -161.632 bonds (distance) P-C4' energy: -167.978 flat angles C4'-P-C4' energy: -205.030 flat angles P-C4'-P energy: -130.222 tors. eta vs tors. theta energy: -263.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2800.464105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.464105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.464105 (E_RNA) where: Base-Base interactions energy: -1898.187 where: short stacking energy: -767.198 Base-Backbone interact. energy: -5.083 local terms energy: -897.193956 where: bonds (distance) C4'-P energy: -161.259 bonds (distance) P-C4' energy: -178.519 flat angles C4'-P-C4' energy: -195.857 flat angles P-C4'-P energy: -128.709 tors. eta vs tors. theta energy: -232.850 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: 4, replica: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2580.506913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.506913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.506913 (E_RNA) where: Base-Base interactions energy: -1764.374 where: short stacking energy: -753.490 Base-Backbone interact. energy: -3.916 local terms energy: -812.216883 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -153.789 flat angles C4'-P-C4' energy: -180.209 flat angles P-C4'-P energy: -124.591 tors. eta vs tors. theta energy: -207.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2466.759319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.759319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.759319 (E_RNA) where: Base-Base interactions energy: -1649.509 where: short stacking energy: -717.776 Base-Backbone interact. energy: -2.530 local terms energy: -814.720306 where: bonds (distance) C4'-P energy: -163.505 bonds (distance) P-C4' energy: -151.893 flat angles C4'-P-C4' energy: -194.263 flat angles P-C4'-P energy: -105.697 tors. eta vs tors. theta energy: -199.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1834.598765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.598765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.598765 (E_RNA) where: Base-Base interactions energy: -1150.900 where: short stacking energy: -515.708 Base-Backbone interact. energy: -0.470 local terms energy: -683.228876 where: bonds (distance) C4'-P energy: -140.891 bonds (distance) P-C4' energy: -166.298 flat angles C4'-P-C4' energy: -153.426 flat angles P-C4'-P energy: -107.083 tors. eta vs tors. theta energy: -115.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1783.380429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.380429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.380429 (E_RNA) where: Base-Base interactions energy: -1085.703 where: short stacking energy: -490.729 Base-Backbone interact. energy: 5.431 local terms energy: -703.108684 where: bonds (distance) C4'-P energy: -163.347 bonds (distance) P-C4' energy: -155.111 flat angles C4'-P-C4' energy: -172.816 flat angles P-C4'-P energy: -94.009 tors. eta vs tors. theta energy: -117.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1192.793516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.793516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.793516 (E_RNA) where: Base-Base interactions energy: -633.818 where: short stacking energy: -331.622 Base-Backbone interact. energy: 10.238 local terms energy: -569.213211 where: bonds (distance) C4'-P energy: -160.901 bonds (distance) P-C4' energy: -167.247 flat angles C4'-P-C4' energy: -135.873 flat angles P-C4'-P energy: -83.595 tors. eta vs tors. theta energy: -21.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -819.000284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.000284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.000284 (E_RNA) where: Base-Base interactions energy: -325.270 where: short stacking energy: -232.983 Base-Backbone interact. energy: 1.554 local terms energy: -495.284863 where: bonds (distance) C4'-P energy: -129.404 bonds (distance) P-C4' energy: -140.739 flat angles C4'-P-C4' energy: -137.072 flat angles P-C4'-P energy: -85.759 tors. eta vs tors. theta energy: -2.311 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: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -674.940949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.940949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.940949 (E_RNA) where: Base-Base interactions energy: -213.025 where: short stacking energy: -175.493 Base-Backbone interact. energy: 0.262 local terms energy: -462.177942 where: bonds (distance) C4'-P energy: -121.853 bonds (distance) P-C4' energy: -158.277 flat angles C4'-P-C4' energy: -131.798 flat angles P-C4'-P energy: -85.892 tors. eta vs tors. theta energy: 35.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3071.013587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.013587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.013587 (E_RNA) where: Base-Base interactions energy: -2114.206 where: short stacking energy: -874.108 Base-Backbone interact. energy: -4.724 local terms energy: -952.083124 where: bonds (distance) C4'-P energy: -184.950 bonds (distance) P-C4' energy: -178.760 flat angles C4'-P-C4' energy: -186.454 flat angles P-C4'-P energy: -135.932 tors. eta vs tors. theta energy: -265.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2956.794432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.794432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.794432 (E_RNA) where: Base-Base interactions energy: -1993.991 where: short stacking energy: -857.778 Base-Backbone interact. energy: -1.232 local terms energy: -961.570683 where: bonds (distance) C4'-P energy: -178.578 bonds (distance) P-C4' energy: -173.281 flat angles C4'-P-C4' energy: -206.843 flat angles P-C4'-P energy: -135.570 tors. eta vs tors. theta energy: -267.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2826.171638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.171638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.171638 (E_RNA) where: Base-Base interactions energy: -1879.677 where: short stacking energy: -759.611 Base-Backbone interact. energy: -0.771 local terms energy: -945.723386 where: bonds (distance) C4'-P energy: -185.692 bonds (distance) P-C4' energy: -190.233 flat angles C4'-P-C4' energy: -195.998 flat angles P-C4'-P energy: -126.216 tors. eta vs tors. theta energy: -247.585 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: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2607.133465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.133465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.133465 (E_RNA) where: Base-Base interactions energy: -1747.844 where: short stacking energy: -756.596 Base-Backbone interact. energy: -5.747 local terms energy: -853.542391 where: bonds (distance) C4'-P energy: -155.482 bonds (distance) P-C4' energy: -174.346 flat angles C4'-P-C4' energy: -184.839 flat angles P-C4'-P energy: -128.268 tors. eta vs tors. theta energy: -210.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2449.230765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.230765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.230765 (E_RNA) where: Base-Base interactions energy: -1627.649 where: short stacking energy: -719.334 Base-Backbone interact. energy: -1.681 local terms energy: -819.901200 where: bonds (distance) C4'-P energy: -175.446 bonds (distance) P-C4' energy: -160.818 flat angles C4'-P-C4' energy: -171.813 flat angles P-C4'-P energy: -105.649 tors. eta vs tors. theta energy: -206.175 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: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1907.894966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.894966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.894966 (E_RNA) where: Base-Base interactions energy: -1198.451 where: short stacking energy: -535.055 Base-Backbone interact. energy: 1.313 local terms energy: -710.757336 where: bonds (distance) C4'-P energy: -161.128 bonds (distance) P-C4' energy: -152.427 flat angles C4'-P-C4' energy: -156.961 flat angles P-C4'-P energy: -120.864 tors. eta vs tors. theta energy: -119.377 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: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1627.497336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.497336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.497336 (E_RNA) where: Base-Base interactions energy: -998.295 where: short stacking energy: -449.092 Base-Backbone interact. energy: 1.282 local terms energy: -630.483811 where: bonds (distance) C4'-P energy: -150.664 bonds (distance) P-C4' energy: -153.668 flat angles C4'-P-C4' energy: -159.886 flat angles P-C4'-P energy: -84.181 tors. eta vs tors. theta energy: -82.085 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: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1219.758217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.758217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.758217 (E_RNA) where: Base-Base interactions energy: -686.471 where: short stacking energy: -332.620 Base-Backbone interact. energy: -1.630 local terms energy: -531.657119 where: bonds (distance) C4'-P energy: -128.957 bonds (distance) P-C4' energy: -152.193 flat angles C4'-P-C4' energy: -132.273 flat angles P-C4'-P energy: -90.654 tors. eta vs tors. theta energy: -27.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -836.593256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.593256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.593256 (E_RNA) where: Base-Base interactions energy: -315.581 where: short stacking energy: -222.804 Base-Backbone interact. energy: -3.433 local terms energy: -517.579610 where: bonds (distance) C4'-P energy: -147.130 bonds (distance) P-C4' energy: -159.928 flat angles C4'-P-C4' energy: -131.699 flat angles P-C4'-P energy: -80.212 tors. eta vs tors. theta energy: 1.389 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: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -647.880915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.880915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.880915 (E_RNA) where: Base-Base interactions energy: -212.173 where: short stacking energy: -167.143 Base-Backbone interact. energy: 0.310 local terms energy: -436.018523 where: bonds (distance) C4'-P energy: -151.672 bonds (distance) P-C4' energy: -152.625 flat angles C4'-P-C4' energy: -97.636 flat angles P-C4'-P energy: -64.936 tors. eta vs tors. theta energy: 30.850 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: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3138.768557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.768557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.768557 (E_RNA) where: Base-Base interactions energy: -2156.242 where: short stacking energy: -910.217 Base-Backbone interact. energy: 1.051 local terms energy: -983.578125 where: bonds (distance) C4'-P energy: -167.341 bonds (distance) P-C4' energy: -194.332 flat angles C4'-P-C4' energy: -211.941 flat angles P-C4'-P energy: -126.391 tors. eta vs tors. theta energy: -283.572 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: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2963.119210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.119210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.119210 (E_RNA) where: Base-Base interactions energy: -2025.374 where: short stacking energy: -831.032 Base-Backbone interact. energy: 2.576 local terms energy: -940.320418 where: bonds (distance) C4'-P energy: -178.437 bonds (distance) P-C4' energy: -184.926 flat angles C4'-P-C4' energy: -208.682 flat angles P-C4'-P energy: -128.625 tors. eta vs tors. theta energy: -239.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2780.932613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.932613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.932613 (E_RNA) where: Base-Base interactions energy: -1859.448 where: short stacking energy: -789.231 Base-Backbone interact. energy: -4.541 local terms energy: -916.943822 where: bonds (distance) C4'-P energy: -166.865 bonds (distance) P-C4' energy: -181.986 flat angles C4'-P-C4' energy: -191.251 flat angles P-C4'-P energy: -130.344 tors. eta vs tors. theta energy: -246.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2620.062897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.062897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.062897 (E_RNA) where: Base-Base interactions energy: -1748.133 where: short stacking energy: -767.259 Base-Backbone interact. energy: -1.742 local terms energy: -870.188375 where: bonds (distance) C4'-P energy: -164.329 bonds (distance) P-C4' energy: -165.131 flat angles C4'-P-C4' energy: -195.902 flat angles P-C4'-P energy: -120.556 tors. eta vs tors. theta energy: -224.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2363.456634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.456634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.456634 (E_RNA) where: Base-Base interactions energy: -1546.503 where: short stacking energy: -669.506 Base-Backbone interact. energy: 0.804 local terms energy: -817.757701 where: bonds (distance) C4'-P energy: -172.682 bonds (distance) P-C4' energy: -174.221 flat angles C4'-P-C4' energy: -170.649 flat angles P-C4'-P energy: -125.648 tors. eta vs tors. theta energy: -174.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1869.059888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.059888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.059888 (E_RNA) where: Base-Base interactions energy: -1175.432 where: short stacking energy: -523.683 Base-Backbone interact. energy: -1.052 local terms energy: -692.575637 where: bonds (distance) C4'-P energy: -137.580 bonds (distance) P-C4' energy: -164.530 flat angles C4'-P-C4' energy: -159.599 flat angles P-C4'-P energy: -109.333 tors. eta vs tors. theta energy: -121.534 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: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1703.348626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.348626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.348626 (E_RNA) where: Base-Base interactions energy: -1074.950 where: short stacking energy: -459.388 Base-Backbone interact. energy: 0.959 local terms energy: -629.358311 where: bonds (distance) C4'-P energy: -154.320 bonds (distance) P-C4' energy: -147.335 flat angles C4'-P-C4' energy: -158.273 flat angles P-C4'-P energy: -74.675 tors. eta vs tors. theta energy: -94.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1178.109525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.109525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.109525 (E_RNA) where: Base-Base interactions energy: -655.844 where: short stacking energy: -334.930 Base-Backbone interact. energy: -4.933 local terms energy: -517.333035 where: bonds (distance) C4'-P energy: -131.953 bonds (distance) P-C4' energy: -150.472 flat angles C4'-P-C4' energy: -133.095 flat angles P-C4'-P energy: -71.134 tors. eta vs tors. theta energy: -30.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -759.018167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.018167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.018167 (E_RNA) where: Base-Base interactions energy: -290.161 where: short stacking energy: -192.133 Base-Backbone interact. energy: 6.358 local terms energy: -475.215577 where: bonds (distance) C4'-P energy: -151.918 bonds (distance) P-C4' energy: -139.942 flat angles C4'-P-C4' energy: -140.963 flat angles P-C4'-P energy: -82.878 tors. eta vs tors. theta energy: 40.485 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: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -632.907407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.907407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.907407 (E_RNA) where: Base-Base interactions energy: -223.567 where: short stacking energy: -173.070 Base-Backbone interact. energy: 9.520 local terms energy: -418.859606 where: bonds (distance) C4'-P energy: -139.720 bonds (distance) P-C4' energy: -128.320 flat angles C4'-P-C4' energy: -136.233 flat angles P-C4'-P energy: -64.269 tors. eta vs tors. theta energy: 49.682 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: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3073.065259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.065259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.065259 (E_RNA) where: Base-Base interactions energy: -2137.646 where: short stacking energy: -862.684 Base-Backbone interact. energy: -6.049 local terms energy: -929.370062 where: bonds (distance) C4'-P energy: -165.417 bonds (distance) P-C4' energy: -175.903 flat angles C4'-P-C4' energy: -207.243 flat angles P-C4'-P energy: -133.744 tors. eta vs tors. theta energy: -247.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2959.623950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.623950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.623950 (E_RNA) where: Base-Base interactions energy: -1997.850 where: short stacking energy: -828.257 Base-Backbone interact. energy: -5.510 local terms energy: -956.263740 where: bonds (distance) C4'-P energy: -165.243 bonds (distance) P-C4' energy: -185.966 flat angles C4'-P-C4' energy: -215.112 flat angles P-C4'-P energy: -125.831 tors. eta vs tors. theta energy: -264.112 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: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2866.974043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.974043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.974043 (E_RNA) where: Base-Base interactions energy: -1953.040 where: short stacking energy: -838.961 Base-Backbone interact. energy: 1.519 local terms energy: -915.452823 where: bonds (distance) C4'-P energy: -165.041 bonds (distance) P-C4' energy: -177.877 flat angles C4'-P-C4' energy: -193.169 flat angles P-C4'-P energy: -130.152 tors. eta vs tors. theta energy: -249.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2665.084755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.084755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.084755 (E_RNA) where: Base-Base interactions energy: -1814.325 where: short stacking energy: -775.144 Base-Backbone interact. energy: -3.845 local terms energy: -846.914010 where: bonds (distance) C4'-P energy: -155.788 bonds (distance) P-C4' energy: -182.479 flat angles C4'-P-C4' energy: -177.005 flat angles P-C4'-P energy: -117.957 tors. eta vs tors. theta energy: -213.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2376.212971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.212971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.212971 (E_RNA) where: Base-Base interactions energy: -1599.344 where: short stacking energy: -672.608 Base-Backbone interact. energy: -1.064 local terms energy: -775.804692 where: bonds (distance) C4'-P energy: -150.618 bonds (distance) P-C4' energy: -167.009 flat angles C4'-P-C4' energy: -181.531 flat angles P-C4'-P energy: -107.664 tors. eta vs tors. theta energy: -168.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1948.717936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.717936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.717936 (E_RNA) where: Base-Base interactions energy: -1243.919 where: short stacking energy: -584.228 Base-Backbone interact. energy: 0.609 local terms energy: -705.407971 where: bonds (distance) C4'-P energy: -159.807 bonds (distance) P-C4' energy: -168.215 flat angles C4'-P-C4' energy: -162.223 flat angles P-C4'-P energy: -93.975 tors. eta vs tors. theta energy: -121.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1668.375969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.375969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.375969 (E_RNA) where: Base-Base interactions energy: -995.535 where: short stacking energy: -441.503 Base-Backbone interact. energy: -1.947 local terms energy: -670.893848 where: bonds (distance) C4'-P energy: -150.801 bonds (distance) P-C4' energy: -160.394 flat angles C4'-P-C4' energy: -167.984 flat angles P-C4'-P energy: -115.564 tors. eta vs tors. theta energy: -76.150 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: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1166.026558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.026558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.026558 (E_RNA) where: Base-Base interactions energy: -636.433 where: short stacking energy: -375.835 Base-Backbone interact. energy: 1.141 local terms energy: -530.734538 where: bonds (distance) C4'-P energy: -136.695 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -137.509 flat angles P-C4'-P energy: -79.831 tors. eta vs tors. theta energy: -41.573 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: 9, replica: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -794.085519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.085519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.085519 (E_RNA) where: Base-Base interactions energy: -289.012 where: short stacking energy: -203.719 Base-Backbone interact. energy: -0.696 local terms energy: -504.377827 where: bonds (distance) C4'-P energy: -142.394 bonds (distance) P-C4' energy: -162.073 flat angles C4'-P-C4' energy: -145.278 flat angles P-C4'-P energy: -69.721 tors. eta vs tors. theta energy: 15.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -634.994297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.994297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.994297 (E_RNA) where: Base-Base interactions energy: -201.400 where: short stacking energy: -151.473 Base-Backbone interact. energy: 5.074 local terms energy: -438.668351 where: bonds (distance) C4'-P energy: -153.998 bonds (distance) P-C4' energy: -150.173 flat angles C4'-P-C4' energy: -134.843 flat angles P-C4'-P energy: -42.984 tors. eta vs tors. theta energy: 43.330 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: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3090.589497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.589497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.589497 (E_RNA) where: Base-Base interactions energy: -2130.082 where: short stacking energy: -872.509 Base-Backbone interact. energy: -4.705 local terms energy: -955.802500 where: bonds (distance) C4'-P energy: -183.663 bonds (distance) P-C4' energy: -173.444 flat angles C4'-P-C4' energy: -201.595 flat angles P-C4'-P energy: -131.128 tors. eta vs tors. theta energy: -265.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -3018.199716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.199716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.199716 (E_RNA) where: Base-Base interactions energy: -2054.420 where: short stacking energy: -861.975 Base-Backbone interact. energy: -6.380 local terms energy: -957.399933 where: bonds (distance) C4'-P energy: -168.294 bonds (distance) P-C4' energy: -168.430 flat angles C4'-P-C4' energy: -207.575 flat angles P-C4'-P energy: -141.448 tors. eta vs tors. theta energy: -271.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2852.924890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.924890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.924890 (E_RNA) where: Base-Base interactions energy: -1950.243 where: short stacking energy: -823.944 Base-Backbone interact. energy: -4.635 local terms energy: -898.047509 where: bonds (distance) C4'-P energy: -161.859 bonds (distance) P-C4' energy: -161.293 flat angles C4'-P-C4' energy: -199.910 flat angles P-C4'-P energy: -134.135 tors. eta vs tors. theta energy: -240.850 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: 4, replica: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2572.320329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.320329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.320329 (E_RNA) where: Base-Base interactions energy: -1730.575 where: short stacking energy: -689.309 Base-Backbone interact. energy: -2.500 local terms energy: -839.244774 where: bonds (distance) C4'-P energy: -180.449 bonds (distance) P-C4' energy: -155.453 flat angles C4'-P-C4' energy: -184.155 flat angles P-C4'-P energy: -126.572 tors. eta vs tors. theta energy: -192.616 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: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2340.446182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.446182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.446182 (E_RNA) where: Base-Base interactions energy: -1567.607 where: short stacking energy: -643.875 Base-Backbone interact. energy: -1.879 local terms energy: -770.960446 where: bonds (distance) C4'-P energy: -155.686 bonds (distance) P-C4' energy: -153.934 flat angles C4'-P-C4' energy: -184.857 flat angles P-C4'-P energy: -106.329 tors. eta vs tors. theta energy: -170.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1925.067443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.067443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.067443 (E_RNA) where: Base-Base interactions energy: -1195.509 where: short stacking energy: -517.374 Base-Backbone interact. energy: -0.503 local terms energy: -729.055428 where: bonds (distance) C4'-P energy: -158.678 bonds (distance) P-C4' energy: -155.805 flat angles C4'-P-C4' energy: -187.176 flat angles P-C4'-P energy: -105.507 tors. eta vs tors. theta energy: -121.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1688.740076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.740076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.740076 (E_RNA) where: Base-Base interactions energy: -1059.719 where: short stacking energy: -457.372 Base-Backbone interact. energy: 0.663 local terms energy: -629.683391 where: bonds (distance) C4'-P energy: -128.019 bonds (distance) P-C4' energy: -148.803 flat angles C4'-P-C4' energy: -176.086 flat angles P-C4'-P energy: -88.654 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: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1155.414826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.414826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.414826 (E_RNA) where: Base-Base interactions energy: -568.892 where: short stacking energy: -302.471 Base-Backbone interact. energy: 0.074 local terms energy: -586.596131 where: bonds (distance) C4'-P energy: -171.291 bonds (distance) P-C4' energy: -146.957 flat angles C4'-P-C4' energy: -147.016 flat angles P-C4'-P energy: -84.191 tors. eta vs tors. theta energy: -37.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -827.211569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.211569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.211569 (E_RNA) where: Base-Base interactions energy: -320.097 where: short stacking energy: -208.373 Base-Backbone interact. energy: 5.345 local terms energy: -512.458894 where: bonds (distance) C4'-P energy: -143.170 bonds (distance) P-C4' energy: -166.794 flat angles C4'-P-C4' energy: -140.243 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: 6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -689.619648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.619648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.619648 (E_RNA) where: Base-Base interactions energy: -211.364 where: short stacking energy: -176.381 Base-Backbone interact. energy: 3.943 local terms energy: -482.198383 where: bonds (distance) C4'-P energy: -151.548 bonds (distance) P-C4' energy: -142.370 flat angles C4'-P-C4' energy: -125.182 flat angles P-C4'-P energy: -94.672 tors. eta vs tors. theta energy: 31.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3072.316814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.316814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.316814 (E_RNA) where: Base-Base interactions energy: -2074.484 where: short stacking energy: -870.315 Base-Backbone interact. energy: -3.047 local terms energy: -994.785249 where: bonds (distance) C4'-P energy: -178.934 bonds (distance) P-C4' energy: -194.283 flat angles C4'-P-C4' energy: -216.579 flat angles P-C4'-P energy: -146.111 tors. eta vs tors. theta energy: -258.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -3014.100324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.100324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.100324 (E_RNA) where: Base-Base interactions energy: -2088.962 where: short stacking energy: -859.604 Base-Backbone interact. energy: -1.889 local terms energy: -923.249432 where: bonds (distance) C4'-P energy: -178.359 bonds (distance) P-C4' energy: -168.170 flat angles C4'-P-C4' energy: -187.353 flat angles P-C4'-P energy: -121.652 tors. eta vs tors. theta energy: -267.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2842.853486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.853486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.853486 (E_RNA) where: Base-Base interactions energy: -1907.291 where: short stacking energy: -791.770 Base-Backbone interact. energy: -3.355 local terms energy: -932.207450 where: bonds (distance) C4'-P energy: -151.085 bonds (distance) P-C4' energy: -191.296 flat angles C4'-P-C4' energy: -222.805 flat angles P-C4'-P energy: -126.377 tors. eta vs tors. theta energy: -240.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2561.418988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.418988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.418988 (E_RNA) where: Base-Base interactions energy: -1692.678 where: short stacking energy: -696.996 Base-Backbone interact. energy: 1.949 local terms energy: -870.690640 where: bonds (distance) C4'-P energy: -193.496 bonds (distance) P-C4' energy: -169.400 flat angles C4'-P-C4' energy: -187.711 flat angles P-C4'-P energy: -127.087 tors. eta vs tors. theta energy: -192.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2303.765120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.765120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.765120 (E_RNA) where: Base-Base interactions energy: -1504.699 where: short stacking energy: -628.590 Base-Backbone interact. energy: -1.184 local terms energy: -797.882390 where: bonds (distance) C4'-P energy: -159.953 bonds (distance) P-C4' energy: -173.570 flat angles C4'-P-C4' energy: -165.413 flat angles P-C4'-P energy: -114.456 tors. eta vs tors. theta energy: -184.490 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: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1898.066744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.066744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.066744 (E_RNA) where: Base-Base interactions energy: -1165.360 where: short stacking energy: -533.386 Base-Backbone interact. energy: -1.247 local terms energy: -731.459682 where: bonds (distance) C4'-P energy: -156.864 bonds (distance) P-C4' energy: -172.762 flat angles C4'-P-C4' energy: -155.364 flat angles P-C4'-P energy: -104.576 tors. eta vs tors. theta energy: -141.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1706.285584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.285584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.285584 (E_RNA) where: Base-Base interactions energy: -1044.739 where: short stacking energy: -487.197 Base-Backbone interact. energy: -7.854 local terms energy: -653.692002 where: bonds (distance) C4'-P energy: -150.420 bonds (distance) P-C4' energy: -140.851 flat angles C4'-P-C4' energy: -156.672 flat angles P-C4'-P energy: -87.675 tors. eta vs tors. theta energy: -118.075 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: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1183.257926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.257926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.257926 (E_RNA) where: Base-Base interactions energy: -642.860 where: short stacking energy: -313.992 Base-Backbone interact. energy: 1.766 local terms energy: -542.164189 where: bonds (distance) C4'-P energy: -144.713 bonds (distance) P-C4' energy: -156.304 flat angles C4'-P-C4' energy: -125.861 flat angles P-C4'-P energy: -80.416 tors. eta vs tors. theta energy: -34.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -827.342881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.342881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.342881 (E_RNA) where: Base-Base interactions energy: -326.411 where: short stacking energy: -199.889 Base-Backbone interact. energy: 0.169 local terms energy: -501.100665 where: bonds (distance) C4'-P energy: -153.711 bonds (distance) P-C4' energy: -154.247 flat angles C4'-P-C4' energy: -126.911 flat angles P-C4'-P energy: -89.659 tors. eta vs tors. theta energy: 23.427 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: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -709.123487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.123487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.123487 (E_RNA) where: Base-Base interactions energy: -295.174 where: short stacking energy: -164.305 Base-Backbone interact. energy: 1.877 local terms energy: -415.827270 where: bonds (distance) C4'-P energy: -151.475 bonds (distance) P-C4' energy: -141.762 flat angles C4'-P-C4' energy: -112.417 flat angles P-C4'-P energy: -66.166 tors. eta vs tors. theta energy: 55.992 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: 1, replica: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3039.153843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.153843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.153843 (E_RNA) where: Base-Base interactions energy: -2085.042 where: short stacking energy: -881.188 Base-Backbone interact. energy: -4.783 local terms energy: -949.328478 where: bonds (distance) C4'-P energy: -184.034 bonds (distance) P-C4' energy: -195.508 flat angles C4'-P-C4' energy: -188.705 flat angles P-C4'-P energy: -122.227 tors. eta vs tors. theta energy: -258.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2963.488036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.488036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.488036 (E_RNA) where: Base-Base interactions energy: -2042.590 where: short stacking energy: -817.123 Base-Backbone interact. energy: -4.323 local terms energy: -916.575706 where: bonds (distance) C4'-P energy: -162.249 bonds (distance) P-C4' energy: -195.814 flat angles C4'-P-C4' energy: -196.246 flat angles P-C4'-P energy: -122.529 tors. eta vs tors. theta energy: -239.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2909.683094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.683094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.683094 (E_RNA) where: Base-Base interactions energy: -1976.953 where: short stacking energy: -856.267 Base-Backbone interact. energy: -1.352 local terms energy: -931.378064 where: bonds (distance) C4'-P energy: -169.851 bonds (distance) P-C4' energy: -177.980 flat angles C4'-P-C4' energy: -186.859 flat angles P-C4'-P energy: -149.009 tors. eta vs tors. theta energy: -247.679 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: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2607.978051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.978051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.978051 (E_RNA) where: Base-Base interactions energy: -1752.341 where: short stacking energy: -732.798 Base-Backbone interact. energy: -3.914 local terms energy: -851.723611 where: bonds (distance) C4'-P energy: -159.634 bonds (distance) P-C4' energy: -189.613 flat angles C4'-P-C4' energy: -191.328 flat angles P-C4'-P energy: -127.969 tors. eta vs tors. theta energy: -183.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2318.906264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.906264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.906264 (E_RNA) where: Base-Base interactions energy: -1504.425 where: short stacking energy: -653.869 Base-Backbone interact. energy: -1.719 local terms energy: -812.762581 where: bonds (distance) C4'-P energy: -154.140 bonds (distance) P-C4' energy: -162.487 flat angles C4'-P-C4' energy: -195.421 flat angles P-C4'-P energy: -117.083 tors. eta vs tors. theta energy: -183.632 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: 9 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1861.872293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.872293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.872293 (E_RNA) where: Base-Base interactions energy: -1186.304 where: short stacking energy: -556.255 Base-Backbone interact. energy: -1.754 local terms energy: -673.814468 where: bonds (distance) C4'-P energy: -142.513 bonds (distance) P-C4' energy: -136.508 flat angles C4'-P-C4' energy: -160.766 flat angles P-C4'-P energy: -110.052 tors. eta vs tors. theta energy: -123.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1706.710756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.710756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.710756 (E_RNA) where: Base-Base interactions energy: -1060.922 where: short stacking energy: -460.967 Base-Backbone interact. energy: 1.856 local terms energy: -647.644532 where: bonds (distance) C4'-P energy: -158.090 bonds (distance) P-C4' energy: -145.860 flat angles C4'-P-C4' energy: -154.192 flat angles P-C4'-P energy: -88.721 tors. eta vs tors. theta energy: -100.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1205.652483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.652483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.652483 (E_RNA) where: Base-Base interactions energy: -639.412 where: short stacking energy: -313.484 Base-Backbone interact. energy: -4.033 local terms energy: -562.207808 where: bonds (distance) C4'-P energy: -148.888 bonds (distance) P-C4' energy: -150.451 flat angles C4'-P-C4' energy: -154.068 flat angles P-C4'-P energy: -92.934 tors. eta vs tors. theta energy: -15.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -864.610496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.610496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.610496 (E_RNA) where: Base-Base interactions energy: -336.614 where: short stacking energy: -215.507 Base-Backbone interact. energy: 1.223 local terms energy: -529.219477 where: bonds (distance) C4'-P energy: -164.836 bonds (distance) P-C4' energy: -144.451 flat angles C4'-P-C4' energy: -143.073 flat angles P-C4'-P energy: -91.032 tors. eta vs tors. theta energy: 14.172 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: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -700.586885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.586885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.586885 (E_RNA) where: Base-Base interactions energy: -278.854 where: short stacking energy: -179.240 Base-Backbone interact. energy: 1.848 local terms energy: -423.580477 where: bonds (distance) C4'-P energy: -135.758 bonds (distance) P-C4' energy: -158.116 flat angles C4'-P-C4' energy: -126.124 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: 44.116 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: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3062.322475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.322475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.322475 (E_RNA) where: Base-Base interactions energy: -2088.854 where: short stacking energy: -862.159 Base-Backbone interact. energy: -3.573 local terms energy: -969.896115 where: bonds (distance) C4'-P energy: -170.463 bonds (distance) P-C4' energy: -191.247 flat angles C4'-P-C4' energy: -214.760 flat angles P-C4'-P energy: -137.884 tors. eta vs tors. theta energy: -255.542 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: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2998.881582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.881582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.881582 (E_RNA) where: Base-Base interactions energy: -2090.641 where: short stacking energy: -875.453 Base-Backbone interact. energy: -2.147 local terms energy: -906.094305 where: bonds (distance) C4'-P energy: -170.179 bonds (distance) P-C4' energy: -166.629 flat angles C4'-P-C4' energy: -195.413 flat angles P-C4'-P energy: -123.708 tors. eta vs tors. theta energy: -250.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2872.803821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.803821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.803821 (E_RNA) where: Base-Base interactions energy: -1988.517 where: short stacking energy: -817.065 Base-Backbone interact. energy: -3.647 local terms energy: -880.639862 where: bonds (distance) C4'-P energy: -148.536 bonds (distance) P-C4' energy: -161.487 flat angles C4'-P-C4' energy: -188.481 flat angles P-C4'-P energy: -137.389 tors. eta vs tors. theta energy: -244.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2709.460104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.460104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.460104 (E_RNA) where: Base-Base interactions energy: -1836.505 where: short stacking energy: -764.931 Base-Backbone interact. energy: -3.158 local terms energy: -869.796674 where: bonds (distance) C4'-P energy: -166.304 bonds (distance) P-C4' energy: -179.738 flat angles C4'-P-C4' energy: -188.650 flat angles P-C4'-P energy: -125.420 tors. eta vs tors. theta energy: -209.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2328.236289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.236289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.236289 (E_RNA) where: Base-Base interactions energy: -1506.398 where: short stacking energy: -603.369 Base-Backbone interact. energy: -2.177 local terms energy: -819.660746 where: bonds (distance) C4'-P energy: -189.113 bonds (distance) P-C4' energy: -169.267 flat angles C4'-P-C4' energy: -187.651 flat angles P-C4'-P energy: -107.850 tors. eta vs tors. theta energy: -165.779 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: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1918.147490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.147490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.147490 (E_RNA) where: Base-Base interactions energy: -1186.044 where: short stacking energy: -555.097 Base-Backbone interact. energy: 4.661 local terms energy: -736.764087 where: bonds (distance) C4'-P energy: -144.778 bonds (distance) P-C4' energy: -168.597 flat angles C4'-P-C4' energy: -176.674 flat angles P-C4'-P energy: -116.824 tors. eta vs tors. theta energy: -129.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1757.585764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.585764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.585764 (E_RNA) where: Base-Base interactions energy: -1059.118 where: short stacking energy: -459.324 Base-Backbone interact. energy: -0.100 local terms energy: -698.368125 where: bonds (distance) C4'-P energy: -145.673 bonds (distance) P-C4' energy: -160.799 flat angles C4'-P-C4' energy: -145.120 flat angles P-C4'-P energy: -123.449 tors. eta vs tors. theta energy: -123.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1178.920318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.920318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.920318 (E_RNA) where: Base-Base interactions energy: -634.966 where: short stacking energy: -321.297 Base-Backbone interact. energy: -4.808 local terms energy: -539.146378 where: bonds (distance) C4'-P energy: -154.042 bonds (distance) P-C4' energy: -176.221 flat angles C4'-P-C4' energy: -135.311 flat angles P-C4'-P energy: -59.543 tors. eta vs tors. theta energy: -14.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -750.456413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.456413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.456413 (E_RNA) where: Base-Base interactions energy: -222.143 where: short stacking energy: -180.446 Base-Backbone interact. energy: 3.390 local terms energy: -531.703672 where: bonds (distance) C4'-P energy: -156.817 bonds (distance) P-C4' energy: -162.539 flat angles C4'-P-C4' energy: -153.847 flat angles P-C4'-P energy: -64.873 tors. eta vs tors. theta energy: 6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -671.747848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.747848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.747848 (E_RNA) where: Base-Base interactions energy: -211.917 where: short stacking energy: -159.978 Base-Backbone interact. energy: -0.305 local terms energy: -459.526426 where: bonds (distance) C4'-P energy: -157.229 bonds (distance) P-C4' energy: -132.464 flat angles C4'-P-C4' energy: -128.258 flat angles P-C4'-P energy: -70.631 tors. eta vs tors. theta energy: 29.056 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: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3099.052319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.052319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.052319 (E_RNA) where: Base-Base interactions energy: -2135.615 where: short stacking energy: -872.973 Base-Backbone interact. energy: -0.147 local terms energy: -963.289913 where: bonds (distance) C4'-P energy: -170.699 bonds (distance) P-C4' energy: -186.965 flat angles C4'-P-C4' energy: -190.874 flat angles P-C4'-P energy: -152.027 tors. eta vs tors. theta energy: -262.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2982.787711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.787711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.787711 (E_RNA) where: Base-Base interactions energy: -2023.614 where: short stacking energy: -830.147 Base-Backbone interact. energy: 2.276 local terms energy: -961.449406 where: bonds (distance) C4'-P energy: -174.917 bonds (distance) P-C4' energy: -181.863 flat angles C4'-P-C4' energy: -210.000 flat angles P-C4'-P energy: -143.004 tors. eta vs tors. theta energy: -251.665 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: 3, replica: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2874.861551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.861551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.861551 (E_RNA) where: Base-Base interactions energy: -1966.203 where: short stacking energy: -820.106 Base-Backbone interact. energy: -7.500 local terms energy: -901.159231 where: bonds (distance) C4'-P energy: -168.001 bonds (distance) P-C4' energy: -158.043 flat angles C4'-P-C4' energy: -195.857 flat angles P-C4'-P energy: -133.700 tors. eta vs tors. theta energy: -245.559 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: 10 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2663.592985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.592985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.592985 (E_RNA) where: Base-Base interactions energy: -1794.637 where: short stacking energy: -771.997 Base-Backbone interact. energy: -3.689 local terms energy: -865.266819 where: bonds (distance) C4'-P energy: -174.364 bonds (distance) P-C4' energy: -175.193 flat angles C4'-P-C4' energy: -186.566 flat angles P-C4'-P energy: -112.968 tors. eta vs tors. theta energy: -216.175 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: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2322.863156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.863156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.863156 (E_RNA) where: Base-Base interactions energy: -1555.959 where: short stacking energy: -612.892 Base-Backbone interact. energy: 0.191 local terms energy: -767.095452 where: bonds (distance) C4'-P energy: -171.508 bonds (distance) P-C4' energy: -152.566 flat angles C4'-P-C4' energy: -183.058 flat angles P-C4'-P energy: -106.534 tors. eta vs tors. theta energy: -153.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1851.048502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.048502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.048502 (E_RNA) where: Base-Base interactions energy: -1157.681 where: short stacking energy: -525.245 Base-Backbone interact. energy: -0.316 local terms energy: -693.051891 where: bonds (distance) C4'-P energy: -155.837 bonds (distance) P-C4' energy: -163.371 flat angles C4'-P-C4' energy: -171.420 flat angles P-C4'-P energy: -91.370 tors. eta vs tors. theta energy: -111.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1809.411322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.411322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.411322 (E_RNA) where: Base-Base interactions energy: -1131.027 where: short stacking energy: -544.767 Base-Backbone interact. energy: 1.406 local terms energy: -679.790789 where: bonds (distance) C4'-P energy: -128.346 bonds (distance) P-C4' energy: -155.628 flat angles C4'-P-C4' energy: -158.424 flat angles P-C4'-P energy: -108.662 tors. eta vs tors. theta energy: -128.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1209.237821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.237821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.237821 (E_RNA) where: Base-Base interactions energy: -631.267 where: short stacking energy: -335.737 Base-Backbone interact. energy: -0.947 local terms energy: -577.023705 where: bonds (distance) C4'-P energy: -152.834 bonds (distance) P-C4' energy: -162.695 flat angles C4'-P-C4' energy: -125.190 flat angles P-C4'-P energy: -93.749 tors. eta vs tors. theta energy: -42.556 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: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -718.014632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.014632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.014632 (E_RNA) where: Base-Base interactions energy: -235.230 where: short stacking energy: -188.391 Base-Backbone interact. energy: -4.079 local terms energy: -478.705167 where: bonds (distance) C4'-P energy: -150.181 bonds (distance) P-C4' energy: -178.097 flat angles C4'-P-C4' energy: -119.783 flat angles P-C4'-P energy: -56.072 tors. eta vs tors. theta energy: 25.428 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: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -670.274608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.274608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.274608 (E_RNA) where: Base-Base interactions energy: -216.979 where: short stacking energy: -160.649 Base-Backbone interact. energy: -1.824 local terms energy: -451.472054 where: bonds (distance) C4'-P energy: -156.629 bonds (distance) P-C4' energy: -138.864 flat angles C4'-P-C4' energy: -126.830 flat angles P-C4'-P energy: -76.304 tors. eta vs tors. theta energy: 47.155 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: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3110.081704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.081704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.081704 (E_RNA) where: Base-Base interactions energy: -2127.891 where: short stacking energy: -932.146 Base-Backbone interact. energy: -5.365 local terms energy: -976.826267 where: bonds (distance) C4'-P energy: -178.478 bonds (distance) P-C4' energy: -174.506 flat angles C4'-P-C4' energy: -210.789 flat angles P-C4'-P energy: -143.666 tors. eta vs tors. theta energy: -269.387 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: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2966.433893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.433893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.433893 (E_RNA) where: Base-Base interactions energy: -2051.101 where: short stacking energy: -846.225 Base-Backbone interact. energy: 0.209 local terms energy: -915.541388 where: bonds (distance) C4'-P energy: -156.805 bonds (distance) P-C4' energy: -168.666 flat angles C4'-P-C4' energy: -203.943 flat angles P-C4'-P energy: -129.914 tors. eta vs tors. theta energy: -256.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2853.199193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.199193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.199193 (E_RNA) where: Base-Base interactions energy: -1908.537 where: short stacking energy: -786.215 Base-Backbone interact. energy: -1.329 local terms energy: -943.332672 where: bonds (distance) C4'-P energy: -174.967 bonds (distance) P-C4' energy: -204.333 flat angles C4'-P-C4' energy: -200.611 flat angles P-C4'-P energy: -120.781 tors. eta vs tors. theta energy: -242.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2695.475737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.475737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.475737 (E_RNA) where: Base-Base interactions energy: -1812.477 where: short stacking energy: -779.532 Base-Backbone interact. energy: -4.371 local terms energy: -878.627669 where: bonds (distance) C4'-P energy: -182.947 bonds (distance) P-C4' energy: -139.455 flat angles C4'-P-C4' energy: -202.601 flat angles P-C4'-P energy: -122.285 tors. eta vs tors. theta energy: -231.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2301.068736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.068736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.068736 (E_RNA) where: Base-Base interactions energy: -1524.839 where: short stacking energy: -677.781 Base-Backbone interact. energy: -2.284 local terms energy: -773.946152 where: bonds (distance) C4'-P energy: -158.775 bonds (distance) P-C4' energy: -159.867 flat angles C4'-P-C4' energy: -167.620 flat angles P-C4'-P energy: -120.740 tors. eta vs tors. theta energy: -166.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1879.593520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.593520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.593520 (E_RNA) where: Base-Base interactions energy: -1162.456 where: short stacking energy: -516.927 Base-Backbone interact. energy: -2.952 local terms energy: -714.186070 where: bonds (distance) C4'-P energy: -152.859 bonds (distance) P-C4' energy: -165.724 flat angles C4'-P-C4' energy: -179.705 flat angles P-C4'-P energy: -103.413 tors. eta vs tors. theta energy: -112.485 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: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1745.120799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.120799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.120799 (E_RNA) where: Base-Base interactions energy: -1043.355 where: short stacking energy: -470.705 Base-Backbone interact. energy: -7.069 local terms energy: -694.696638 where: bonds (distance) C4'-P energy: -157.276 bonds (distance) P-C4' energy: -154.693 flat angles C4'-P-C4' energy: -177.318 flat angles P-C4'-P energy: -105.950 tors. eta vs tors. theta energy: -99.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1162.370949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.370949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.370949 (E_RNA) where: Base-Base interactions energy: -596.466 where: short stacking energy: -313.918 Base-Backbone interact. energy: -1.191 local terms energy: -564.713560 where: bonds (distance) C4'-P energy: -143.451 bonds (distance) P-C4' energy: -159.220 flat angles C4'-P-C4' energy: -148.459 flat angles P-C4'-P energy: -87.710 tors. eta vs tors. theta energy: -25.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -683.835300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.835300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.835300 (E_RNA) where: Base-Base interactions energy: -235.186 where: short stacking energy: -217.991 Base-Backbone interact. energy: 3.854 local terms energy: -452.503740 where: bonds (distance) C4'-P energy: -148.791 bonds (distance) P-C4' energy: -151.626 flat angles C4'-P-C4' energy: -113.227 flat angles P-C4'-P energy: -65.863 tors. eta vs tors. theta energy: 27.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -725.739994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.739994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.739994 (E_RNA) where: Base-Base interactions energy: -267.468 where: short stacking energy: -182.492 Base-Backbone interact. energy: 6.241 local terms energy: -464.513143 where: bonds (distance) C4'-P energy: -151.935 bonds (distance) P-C4' energy: -167.990 flat angles C4'-P-C4' energy: -123.559 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: 35.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3128.551432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.551432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.551432 (E_RNA) where: Base-Base interactions energy: -2170.758 where: short stacking energy: -903.731 Base-Backbone interact. energy: -3.551 local terms energy: -954.241692 where: bonds (distance) C4'-P energy: -158.974 bonds (distance) P-C4' energy: -180.743 flat angles C4'-P-C4' energy: -214.424 flat angles P-C4'-P energy: -126.271 tors. eta vs tors. theta energy: -273.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2966.281112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.281112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.281112 (E_RNA) where: Base-Base interactions energy: -1987.709 where: short stacking energy: -843.174 Base-Backbone interact. energy: -0.842 local terms energy: -977.730069 where: bonds (distance) C4'-P energy: -175.963 bonds (distance) P-C4' energy: -194.345 flat angles C4'-P-C4' energy: -204.503 flat angles P-C4'-P energy: -138.361 tors. eta vs tors. theta energy: -264.558 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: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2832.204941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.204941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.204941 (E_RNA) where: Base-Base interactions energy: -1922.290 where: short stacking energy: -808.202 Base-Backbone interact. energy: -5.408 local terms energy: -904.506892 where: bonds (distance) C4'-P energy: -172.328 bonds (distance) P-C4' energy: -170.883 flat angles C4'-P-C4' energy: -187.258 flat angles P-C4'-P energy: -137.464 tors. eta vs tors. theta energy: -236.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2687.283596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.283596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.283596 (E_RNA) where: Base-Base interactions energy: -1799.524 where: short stacking energy: -754.337 Base-Backbone interact. energy: -0.601 local terms energy: -887.158876 where: bonds (distance) C4'-P energy: -174.963 bonds (distance) P-C4' energy: -186.894 flat angles C4'-P-C4' energy: -185.787 flat angles P-C4'-P energy: -118.636 tors. eta vs tors. theta energy: -220.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2383.090394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.090394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.090394 (E_RNA) where: Base-Base interactions energy: -1585.531 where: short stacking energy: -659.156 Base-Backbone interact. energy: -0.567 local terms energy: -796.992507 where: bonds (distance) C4'-P energy: -144.405 bonds (distance) P-C4' energy: -163.838 flat angles C4'-P-C4' energy: -191.857 flat angles P-C4'-P energy: -130.068 tors. eta vs tors. theta energy: -166.825 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: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1813.995760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.995760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.995760 (E_RNA) where: Base-Base interactions energy: -1126.060 where: short stacking energy: -493.600 Base-Backbone interact. energy: -1.372 local terms energy: -686.564484 where: bonds (distance) C4'-P energy: -142.477 bonds (distance) P-C4' energy: -173.350 flat angles C4'-P-C4' energy: -154.993 flat angles P-C4'-P energy: -103.722 tors. eta vs tors. theta energy: -112.022 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: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1840.345392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.345392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.345392 (E_RNA) where: Base-Base interactions energy: -1131.048 where: short stacking energy: -509.420 Base-Backbone interact. energy: 0.734 local terms energy: -710.030705 where: bonds (distance) C4'-P energy: -170.483 bonds (distance) P-C4' energy: -178.032 flat angles C4'-P-C4' energy: -161.202 flat angles P-C4'-P energy: -95.959 tors. eta vs tors. theta energy: -104.355 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: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1147.199912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.199912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.199912 (E_RNA) where: Base-Base interactions energy: -592.761 where: short stacking energy: -304.613 Base-Backbone interact. energy: -0.148 local terms energy: -554.290652 where: bonds (distance) C4'-P energy: -172.940 bonds (distance) P-C4' energy: -130.168 flat angles C4'-P-C4' energy: -156.535 flat angles P-C4'-P energy: -67.730 tors. eta vs tors. theta energy: -26.917 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: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -761.887250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.887250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.887250 (E_RNA) where: Base-Base interactions energy: -273.770 where: short stacking energy: -218.414 Base-Backbone interact. energy: -2.105 local terms energy: -486.012376 where: bonds (distance) C4'-P energy: -140.703 bonds (distance) P-C4' energy: -145.990 flat angles C4'-P-C4' energy: -124.899 flat angles P-C4'-P energy: -89.689 tors. eta vs tors. theta energy: 15.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -654.456087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.456087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.456087 (E_RNA) where: Base-Base interactions energy: -293.562 where: short stacking energy: -162.342 Base-Backbone interact. energy: 7.162 local terms energy: -368.056161 where: bonds (distance) C4'-P energy: -127.710 bonds (distance) P-C4' energy: -124.807 flat angles C4'-P-C4' energy: -113.676 flat angles P-C4'-P energy: -59.734 tors. eta vs tors. theta energy: 57.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3093.110906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.110906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.110906 (E_RNA) where: Base-Base interactions energy: -2130.413 where: short stacking energy: -886.313 Base-Backbone interact. energy: 2.220 local terms energy: -964.917208 where: bonds (distance) C4'-P energy: -184.455 bonds (distance) P-C4' energy: -160.390 flat angles C4'-P-C4' energy: -212.045 flat angles P-C4'-P energy: -136.090 tors. eta vs tors. theta energy: -271.937 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: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2958.318961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.318961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.318961 (E_RNA) where: Base-Base interactions energy: -2016.317 where: short stacking energy: -858.067 Base-Backbone interact. energy: -1.749 local terms energy: -940.253140 where: bonds (distance) C4'-P energy: -184.249 bonds (distance) P-C4' energy: -162.998 flat angles C4'-P-C4' energy: -204.908 flat angles P-C4'-P energy: -129.748 tors. eta vs tors. theta energy: -258.349 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: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2771.350251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.350251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.350251 (E_RNA) where: Base-Base interactions energy: -1893.534 where: short stacking energy: -746.247 Base-Backbone interact. energy: -4.609 local terms energy: -873.206738 where: bonds (distance) C4'-P energy: -161.580 bonds (distance) P-C4' energy: -170.463 flat angles C4'-P-C4' energy: -200.831 flat angles P-C4'-P energy: -123.288 tors. eta vs tors. theta energy: -217.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2684.692824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.692824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.692824 (E_RNA) where: Base-Base interactions energy: -1802.377 where: short stacking energy: -761.609 Base-Backbone interact. energy: -4.516 local terms energy: -877.800165 where: bonds (distance) C4'-P energy: -164.808 bonds (distance) P-C4' energy: -177.130 flat angles C4'-P-C4' energy: -188.758 flat angles P-C4'-P energy: -135.327 tors. eta vs tors. theta energy: -211.776 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: 5, replica: 4 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2304.747577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.747577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.747577 (E_RNA) where: Base-Base interactions energy: -1527.226 where: short stacking energy: -663.416 Base-Backbone interact. energy: -0.781 local terms energy: -776.740520 where: bonds (distance) C4'-P energy: -133.167 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -177.778 flat angles P-C4'-P energy: -122.473 tors. eta vs tors. theta energy: -177.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1806.333975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.333975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.333975 (E_RNA) where: Base-Base interactions energy: -1092.532 where: short stacking energy: -519.239 Base-Backbone interact. energy: -0.047 local terms energy: -713.754784 where: bonds (distance) C4'-P energy: -143.400 bonds (distance) P-C4' energy: -157.333 flat angles C4'-P-C4' energy: -168.500 flat angles P-C4'-P energy: -108.981 tors. eta vs tors. theta energy: -135.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1886.245185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.245185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.245185 (E_RNA) where: Base-Base interactions energy: -1173.028 where: short stacking energy: -540.212 Base-Backbone interact. energy: 1.898 local terms energy: -715.115901 where: bonds (distance) C4'-P energy: -146.607 bonds (distance) P-C4' energy: -179.185 flat angles C4'-P-C4' energy: -153.338 flat angles P-C4'-P energy: -106.899 tors. eta vs tors. theta energy: -129.087 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: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1149.786846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.786846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.786846 (E_RNA) where: Base-Base interactions energy: -612.050 where: short stacking energy: -306.478 Base-Backbone interact. energy: -0.397 local terms energy: -537.340448 where: bonds (distance) C4'-P energy: -138.123 bonds (distance) P-C4' energy: -156.857 flat angles C4'-P-C4' energy: -144.717 flat angles P-C4'-P energy: -102.559 tors. eta vs tors. theta energy: 4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -735.982836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.982836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.982836 (E_RNA) where: Base-Base interactions energy: -268.914 where: short stacking energy: -190.835 Base-Backbone interact. energy: -1.714 local terms energy: -465.354928 where: bonds (distance) C4'-P energy: -141.464 bonds (distance) P-C4' energy: -160.493 flat angles C4'-P-C4' energy: -133.253 flat angles P-C4'-P energy: -71.744 tors. eta vs tors. theta energy: 41.599 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: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -647.125266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.125266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.125266 (E_RNA) where: Base-Base interactions energy: -208.565 where: short stacking energy: -173.406 Base-Backbone interact. energy: -4.464 local terms energy: -434.096980 where: bonds (distance) C4'-P energy: -121.623 bonds (distance) P-C4' energy: -166.767 flat angles C4'-P-C4' energy: -111.896 flat angles P-C4'-P energy: -63.867 tors. eta vs tors. theta energy: 30.057 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: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3086.796401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.796401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.796401 (E_RNA) where: Base-Base interactions energy: -2104.297 where: short stacking energy: -867.142 Base-Backbone interact. energy: -6.584 local terms energy: -975.915860 where: bonds (distance) C4'-P energy: -171.763 bonds (distance) P-C4' energy: -185.518 flat angles C4'-P-C4' energy: -207.215 flat angles P-C4'-P energy: -153.068 tors. eta vs tors. theta energy: -258.351 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: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2956.734694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.734694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.734694 (E_RNA) where: Base-Base interactions energy: -2037.274 where: short stacking energy: -867.405 Base-Backbone interact. energy: 6.101 local terms energy: -925.561840 where: bonds (distance) C4'-P energy: -167.609 bonds (distance) P-C4' energy: -180.379 flat angles C4'-P-C4' energy: -180.707 flat angles P-C4'-P energy: -137.032 tors. eta vs tors. theta energy: -259.835 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: 3, replica: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2782.691475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.691475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.691475 (E_RNA) where: Base-Base interactions energy: -1905.024 where: short stacking energy: -769.095 Base-Backbone interact. energy: -1.295 local terms energy: -876.372555 where: bonds (distance) C4'-P energy: -173.224 bonds (distance) P-C4' energy: -150.694 flat angles C4'-P-C4' energy: -187.282 flat angles P-C4'-P energy: -144.731 tors. eta vs tors. theta energy: -220.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2706.831087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.831087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.831087 (E_RNA) where: Base-Base interactions energy: -1840.320 where: short stacking energy: -781.992 Base-Backbone interact. energy: -0.783 local terms energy: -865.727283 where: bonds (distance) C4'-P energy: -154.940 bonds (distance) P-C4' energy: -175.182 flat angles C4'-P-C4' energy: -200.002 flat angles P-C4'-P energy: -119.088 tors. eta vs tors. theta energy: -216.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2316.284222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.284222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.284222 (E_RNA) where: Base-Base interactions energy: -1525.849 where: short stacking energy: -653.691 Base-Backbone interact. energy: 2.103 local terms energy: -792.537620 where: bonds (distance) C4'-P energy: -149.282 bonds (distance) P-C4' energy: -164.154 flat angles C4'-P-C4' energy: -183.853 flat angles P-C4'-P energy: -120.318 tors. eta vs tors. theta energy: -174.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1789.795533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.795533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.795533 (E_RNA) where: Base-Base interactions energy: -1145.411 where: short stacking energy: -499.547 Base-Backbone interact. energy: 2.756 local terms energy: -647.141070 where: bonds (distance) C4'-P energy: -136.066 bonds (distance) P-C4' energy: -149.575 flat angles C4'-P-C4' energy: -149.552 flat angles P-C4'-P energy: -109.515 tors. eta vs tors. theta energy: -102.432 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: 2 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1805.711801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.711801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.711801 (E_RNA) where: Base-Base interactions energy: -1159.078 where: short stacking energy: -539.399 Base-Backbone interact. energy: 3.585 local terms energy: -650.218599 where: bonds (distance) C4'-P energy: -124.370 bonds (distance) P-C4' energy: -161.860 flat angles C4'-P-C4' energy: -168.722 flat angles P-C4'-P energy: -92.483 tors. eta vs tors. theta energy: -102.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1120.006309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.006309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.006309 (E_RNA) where: Base-Base interactions energy: -541.852 where: short stacking energy: -295.890 Base-Backbone interact. energy: -1.209 local terms energy: -576.945359 where: bonds (distance) C4'-P energy: -149.602 bonds (distance) P-C4' energy: -154.983 flat angles C4'-P-C4' energy: -136.114 flat angles P-C4'-P energy: -105.185 tors. eta vs tors. theta energy: -31.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -666.226342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.226342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.226342 (E_RNA) where: Base-Base interactions energy: -230.207 where: short stacking energy: -157.969 Base-Backbone interact. energy: -0.698 local terms energy: -435.320924 where: bonds (distance) C4'-P energy: -134.384 bonds (distance) P-C4' energy: -153.690 flat angles C4'-P-C4' energy: -107.247 flat angles P-C4'-P energy: -83.639 tors. eta vs tors. theta energy: 43.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -656.232607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.232607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.232607 (E_RNA) where: Base-Base interactions energy: -205.993 where: short stacking energy: -167.167 Base-Backbone interact. energy: -4.993 local terms energy: -445.246527 where: bonds (distance) C4'-P energy: -134.644 bonds (distance) P-C4' energy: -164.213 flat angles C4'-P-C4' energy: -123.347 flat angles P-C4'-P energy: -63.669 tors. eta vs tors. theta energy: 40.627 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: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3122.767701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.767701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.767701 (E_RNA) where: Base-Base interactions energy: -2126.250 where: short stacking energy: -894.118 Base-Backbone interact. energy: -1.273 local terms energy: -995.244935 where: bonds (distance) C4'-P energy: -189.140 bonds (distance) P-C4' energy: -191.615 flat angles C4'-P-C4' energy: -207.379 flat angles P-C4'-P energy: -135.079 tors. eta vs tors. theta energy: -272.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2973.292938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.292938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.292938 (E_RNA) where: Base-Base interactions energy: -2028.266 where: short stacking energy: -841.718 Base-Backbone interact. energy: -0.087 local terms energy: -944.939950 where: bonds (distance) C4'-P energy: -181.626 bonds (distance) P-C4' energy: -185.172 flat angles C4'-P-C4' energy: -197.381 flat angles P-C4'-P energy: -129.068 tors. eta vs tors. theta energy: -251.693 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: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2827.953142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.953142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.953142 (E_RNA) where: Base-Base interactions energy: -1909.530 where: short stacking energy: -839.259 Base-Backbone interact. energy: -0.439 local terms energy: -917.983674 where: bonds (distance) C4'-P energy: -156.028 bonds (distance) P-C4' energy: -189.484 flat angles C4'-P-C4' energy: -200.692 flat angles P-C4'-P energy: -132.422 tors. eta vs tors. theta energy: -239.358 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: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2636.081546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.081546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.081546 (E_RNA) where: Base-Base interactions energy: -1768.883 where: short stacking energy: -714.371 Base-Backbone interact. energy: -2.669 local terms energy: -864.528896 where: bonds (distance) C4'-P energy: -164.103 bonds (distance) P-C4' energy: -174.412 flat angles C4'-P-C4' energy: -183.824 flat angles P-C4'-P energy: -123.797 tors. eta vs tors. theta energy: -218.393 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: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2306.958418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.958418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.958418 (E_RNA) where: Base-Base interactions energy: -1523.421 where: short stacking energy: -629.545 Base-Backbone interact. energy: -2.973 local terms energy: -780.564045 where: bonds (distance) C4'-P energy: -145.272 bonds (distance) P-C4' energy: -175.910 flat angles C4'-P-C4' energy: -180.107 flat angles P-C4'-P energy: -113.507 tors. eta vs tors. theta energy: -165.767 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: 9 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1838.727158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.727158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.727158 (E_RNA) where: Base-Base interactions energy: -1145.703 where: short stacking energy: -499.196 Base-Backbone interact. energy: -2.924 local terms energy: -690.100589 where: bonds (distance) C4'-P energy: -152.916 bonds (distance) P-C4' energy: -157.850 flat angles C4'-P-C4' energy: -167.286 flat angles P-C4'-P energy: -97.697 tors. eta vs tors. theta energy: -114.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1769.031034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.031034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.031034 (E_RNA) where: Base-Base interactions energy: -1117.913 where: short stacking energy: -517.094 Base-Backbone interact. energy: -0.798 local terms energy: -650.320234 where: bonds (distance) C4'-P energy: -147.478 bonds (distance) P-C4' energy: -145.776 flat angles C4'-P-C4' energy: -146.804 flat angles P-C4'-P energy: -105.088 tors. eta vs tors. theta energy: -105.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1105.134442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.134442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.134442 (E_RNA) where: Base-Base interactions energy: -559.439 where: short stacking energy: -317.644 Base-Backbone interact. energy: -5.434 local terms energy: -540.261554 where: bonds (distance) C4'-P energy: -147.788 bonds (distance) P-C4' energy: -161.914 flat angles C4'-P-C4' energy: -135.807 flat angles P-C4'-P energy: -67.461 tors. eta vs tors. theta energy: -27.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -735.498406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.498406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.498406 (E_RNA) where: Base-Base interactions energy: -311.389 where: short stacking energy: -199.224 Base-Backbone interact. energy: 13.838 local terms energy: -437.946823 where: bonds (distance) C4'-P energy: -120.379 bonds (distance) P-C4' energy: -154.910 flat angles C4'-P-C4' energy: -128.546 flat angles P-C4'-P energy: -64.589 tors. eta vs tors. theta energy: 30.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -657.653943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.653943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.653943 (E_RNA) where: Base-Base interactions energy: -213.388 where: short stacking energy: -178.109 Base-Backbone interact. energy: 2.037 local terms energy: -446.302464 where: bonds (distance) C4'-P energy: -134.539 bonds (distance) P-C4' energy: -161.636 flat angles C4'-P-C4' energy: -124.508 flat angles P-C4'-P energy: -72.675 tors. eta vs tors. theta energy: 47.054 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: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3106.891639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.891639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.891639 (E_RNA) where: Base-Base interactions energy: -2115.341 where: short stacking energy: -897.919 Base-Backbone interact. energy: -4.398 local terms energy: -987.152033 where: bonds (distance) C4'-P energy: -172.121 bonds (distance) P-C4' energy: -196.842 flat angles C4'-P-C4' energy: -205.783 flat angles P-C4'-P energy: -140.547 tors. eta vs tors. theta energy: -271.860 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: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2981.395883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.395883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.395883 (E_RNA) where: Base-Base interactions energy: -2093.371 where: short stacking energy: -852.836 Base-Backbone interact. energy: -3.795 local terms energy: -884.230617 where: bonds (distance) C4'-P energy: -153.075 bonds (distance) P-C4' energy: -179.323 flat angles C4'-P-C4' energy: -187.404 flat angles P-C4'-P energy: -118.137 tors. eta vs tors. theta energy: -246.290 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: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2861.538851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.538851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.538851 (E_RNA) where: Base-Base interactions energy: -1945.517 where: short stacking energy: -844.143 Base-Backbone interact. energy: 2.297 local terms energy: -918.318415 where: bonds (distance) C4'-P energy: -171.235 bonds (distance) P-C4' energy: -180.904 flat angles C4'-P-C4' energy: -200.277 flat angles P-C4'-P energy: -122.367 tors. eta vs tors. theta energy: -243.536 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: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2655.833832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.833832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.833832 (E_RNA) where: Base-Base interactions energy: -1771.035 where: short stacking energy: -717.226 Base-Backbone interact. energy: -0.130 local terms energy: -884.668632 where: bonds (distance) C4'-P energy: -162.219 bonds (distance) P-C4' energy: -174.868 flat angles C4'-P-C4' energy: -200.289 flat angles P-C4'-P energy: -135.602 tors. eta vs tors. theta energy: -211.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2252.191031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.191031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.191031 (E_RNA) where: Base-Base interactions energy: -1528.061 where: short stacking energy: -632.782 Base-Backbone interact. energy: 2.452 local terms energy: -726.582512 where: bonds (distance) C4'-P energy: -156.665 bonds (distance) P-C4' energy: -136.314 flat angles C4'-P-C4' energy: -168.761 flat angles P-C4'-P energy: -107.708 tors. eta vs tors. theta energy: -157.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1877.559307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.559307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.559307 (E_RNA) where: Base-Base interactions energy: -1144.697 where: short stacking energy: -504.100 Base-Backbone interact. energy: -3.401 local terms energy: -729.461745 where: bonds (distance) C4'-P energy: -159.957 bonds (distance) P-C4' energy: -170.048 flat angles C4'-P-C4' energy: -158.577 flat angles P-C4'-P energy: -122.760 tors. eta vs tors. theta energy: -118.119 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: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1884.745461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.745461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.745461 (E_RNA) where: Base-Base interactions energy: -1188.201 where: short stacking energy: -530.798 Base-Backbone interact. energy: -1.236 local terms energy: -695.307857 where: bonds (distance) C4'-P energy: -153.206 bonds (distance) P-C4' energy: -148.998 flat angles C4'-P-C4' energy: -175.711 flat angles P-C4'-P energy: -91.493 tors. eta vs tors. theta energy: -125.900 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: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1132.410585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.410585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.410585 (E_RNA) where: Base-Base interactions energy: -561.838 where: short stacking energy: -299.651 Base-Backbone interact. energy: -1.766 local terms energy: -568.807370 where: bonds (distance) C4'-P energy: -133.847 bonds (distance) P-C4' energy: -170.002 flat angles C4'-P-C4' energy: -141.222 flat angles P-C4'-P energy: -96.947 tors. eta vs tors. theta energy: -26.790 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: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -723.869226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.869226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.869226 (E_RNA) where: Base-Base interactions energy: -253.376 where: short stacking energy: -183.423 Base-Backbone interact. energy: 0.769 local terms energy: -471.261783 where: bonds (distance) C4'-P energy: -137.908 bonds (distance) P-C4' energy: -168.356 flat angles C4'-P-C4' energy: -126.273 flat angles P-C4'-P energy: -77.740 tors. eta vs tors. theta energy: 39.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -655.022931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.022931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.022931 (E_RNA) where: Base-Base interactions energy: -214.318 where: short stacking energy: -181.216 Base-Backbone interact. energy: 2.015 local terms energy: -442.720305 where: bonds (distance) C4'-P energy: -127.098 bonds (distance) P-C4' energy: -166.433 flat angles C4'-P-C4' energy: -123.503 flat angles P-C4'-P energy: -76.640 tors. eta vs tors. theta energy: 50.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3096.110859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.110859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.110859 (E_RNA) where: Base-Base interactions energy: -2130.607 where: short stacking energy: -881.569 Base-Backbone interact. energy: -3.477 local terms energy: -962.027208 where: bonds (distance) C4'-P energy: -177.804 bonds (distance) P-C4' energy: -184.552 flat angles C4'-P-C4' energy: -199.172 flat angles P-C4'-P energy: -143.509 tors. eta vs tors. theta energy: -256.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2968.977319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.977319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.977319 (E_RNA) where: Base-Base interactions energy: -2034.532 where: short stacking energy: -862.398 Base-Backbone interact. energy: 2.958 local terms energy: -937.402857 where: bonds (distance) C4'-P energy: -177.188 bonds (distance) P-C4' energy: -179.531 flat angles C4'-P-C4' energy: -201.274 flat angles P-C4'-P energy: -132.733 tors. eta vs tors. theta energy: -246.677 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: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2820.358836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.358836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.358836 (E_RNA) where: Base-Base interactions energy: -1895.857 where: short stacking energy: -807.632 Base-Backbone interact. energy: -1.696 local terms energy: -922.805921 where: bonds (distance) C4'-P energy: -164.042 bonds (distance) P-C4' energy: -178.568 flat angles C4'-P-C4' energy: -196.249 flat angles P-C4'-P energy: -135.742 tors. eta vs tors. theta energy: -248.205 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: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2660.094550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.094550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.094550 (E_RNA) where: Base-Base interactions energy: -1814.952 where: short stacking energy: -743.709 Base-Backbone interact. energy: 4.077 local terms energy: -849.219720 where: bonds (distance) C4'-P energy: -184.316 bonds (distance) P-C4' energy: -166.131 flat angles C4'-P-C4' energy: -175.216 flat angles P-C4'-P energy: -110.639 tors. eta vs tors. theta energy: -212.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2307.461595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.461595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.461595 (E_RNA) where: Base-Base interactions energy: -1533.148 where: short stacking energy: -653.576 Base-Backbone interact. energy: -1.549 local terms energy: -772.764371 where: bonds (distance) C4'-P energy: -161.140 bonds (distance) P-C4' energy: -170.861 flat angles C4'-P-C4' energy: -167.998 flat angles P-C4'-P energy: -114.368 tors. eta vs tors. theta energy: -158.398 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: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1967.704533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.704533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.704533 (E_RNA) where: Base-Base interactions energy: -1248.190 where: short stacking energy: -533.790 Base-Backbone interact. energy: 3.513 local terms energy: -723.027742 where: bonds (distance) C4'-P energy: -154.583 bonds (distance) P-C4' energy: -139.993 flat angles C4'-P-C4' energy: -172.439 flat angles P-C4'-P energy: -105.170 tors. eta vs tors. theta energy: -150.842 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: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1896.733579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.733579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.733579 (E_RNA) where: Base-Base interactions energy: -1208.946 where: short stacking energy: -499.849 Base-Backbone interact. energy: -2.435 local terms energy: -685.351981 where: bonds (distance) C4'-P energy: -167.368 bonds (distance) P-C4' energy: -154.903 flat angles C4'-P-C4' energy: -157.029 flat angles P-C4'-P energy: -96.706 tors. eta vs tors. theta energy: -109.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1129.882839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.882839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.882839 (E_RNA) where: Base-Base interactions energy: -603.910 where: short stacking energy: -345.172 Base-Backbone interact. energy: -6.719 local terms energy: -519.253862 where: bonds (distance) C4'-P energy: -114.702 bonds (distance) P-C4' energy: -155.892 flat angles C4'-P-C4' energy: -126.053 flat angles P-C4'-P energy: -85.718 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: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -746.085981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.085981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.085981 (E_RNA) where: Base-Base interactions energy: -253.447 where: short stacking energy: -187.323 Base-Backbone interact. energy: 3.558 local terms energy: -496.196409 where: bonds (distance) C4'-P energy: -144.026 bonds (distance) P-C4' energy: -153.351 flat angles C4'-P-C4' energy: -126.655 flat angles P-C4'-P energy: -97.170 tors. eta vs tors. theta energy: 25.005 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: 5 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -707.680328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.680328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.680328 (E_RNA) where: Base-Base interactions energy: -276.504 where: short stacking energy: -176.760 Base-Backbone interact. energy: 1.873 local terms energy: -433.049574 where: bonds (distance) C4'-P energy: -140.646 bonds (distance) P-C4' energy: -159.694 flat angles C4'-P-C4' energy: -93.332 flat angles P-C4'-P energy: -69.829 tors. eta vs tors. theta energy: 30.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3129.858303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.858303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.858303 (E_RNA) where: Base-Base interactions energy: -2126.214 where: short stacking energy: -895.434 Base-Backbone interact. energy: -8.211 local terms energy: -995.432999 where: bonds (distance) C4'-P energy: -174.360 bonds (distance) P-C4' energy: -193.302 flat angles C4'-P-C4' energy: -212.814 flat angles P-C4'-P energy: -149.063 tors. eta vs tors. theta energy: -265.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2891.333425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.333425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.333425 (E_RNA) where: Base-Base interactions energy: -1927.248 where: short stacking energy: -812.767 Base-Backbone interact. energy: 0.524 local terms energy: -964.609695 where: bonds (distance) C4'-P energy: -190.363 bonds (distance) P-C4' energy: -185.904 flat angles C4'-P-C4' energy: -209.039 flat angles P-C4'-P energy: -125.373 tors. eta vs tors. theta energy: -253.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2940.326776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.326776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.326776 (E_RNA) where: Base-Base interactions energy: -2018.068 where: short stacking energy: -836.108 Base-Backbone interact. energy: -3.241 local terms energy: -919.017507 where: bonds (distance) C4'-P energy: -157.910 bonds (distance) P-C4' energy: -183.764 flat angles C4'-P-C4' energy: -193.338 flat angles P-C4'-P energy: -132.785 tors. eta vs tors. theta energy: -251.220 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: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2679.960210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.960210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.960210 (E_RNA) where: Base-Base interactions energy: -1803.153 where: short stacking energy: -733.864 Base-Backbone interact. energy: -1.366 local terms energy: -875.441656 where: bonds (distance) C4'-P energy: -152.136 bonds (distance) P-C4' energy: -174.251 flat angles C4'-P-C4' energy: -196.321 flat angles P-C4'-P energy: -130.320 tors. eta vs tors. theta energy: -222.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2370.690506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.690506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.690506 (E_RNA) where: Base-Base interactions energy: -1576.153 where: short stacking energy: -671.552 Base-Backbone interact. energy: 2.619 local terms energy: -797.156332 where: bonds (distance) C4'-P energy: -151.419 bonds (distance) P-C4' energy: -159.378 flat angles C4'-P-C4' energy: -183.807 flat angles P-C4'-P energy: -118.182 tors. eta vs tors. theta energy: -184.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1941.140232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.140232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.140232 (E_RNA) where: Base-Base interactions energy: -1239.353 where: short stacking energy: -571.871 Base-Backbone interact. energy: -1.747 local terms energy: -700.040830 where: bonds (distance) C4'-P energy: -145.234 bonds (distance) P-C4' energy: -167.357 flat angles C4'-P-C4' energy: -162.190 flat angles P-C4'-P energy: -85.175 tors. eta vs tors. theta energy: -140.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1820.509130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.509130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.509130 (E_RNA) where: Base-Base interactions energy: -1146.844 where: short stacking energy: -483.403 Base-Backbone interact. energy: 1.425 local terms energy: -675.089598 where: bonds (distance) C4'-P energy: -167.996 bonds (distance) P-C4' energy: -172.387 flat angles C4'-P-C4' energy: -160.122 flat angles P-C4'-P energy: -78.328 tors. eta vs tors. theta energy: -96.257 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: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1077.871699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.871699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.871699 (E_RNA) where: Base-Base interactions energy: -540.613 where: short stacking energy: -298.833 Base-Backbone interact. energy: -5.096 local terms energy: -532.162842 where: bonds (distance) C4'-P energy: -150.119 bonds (distance) P-C4' energy: -167.220 flat angles C4'-P-C4' energy: -140.172 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: -7.737 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: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -723.055053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.055053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.055053 (E_RNA) where: Base-Base interactions energy: -282.880 where: short stacking energy: -205.829 Base-Backbone interact. energy: 8.003 local terms energy: -448.178323 where: bonds (distance) C4'-P energy: -149.649 bonds (distance) P-C4' energy: -147.192 flat angles C4'-P-C4' energy: -123.044 flat angles P-C4'-P energy: -65.696 tors. eta vs tors. theta energy: 37.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -746.455400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.455400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.455400 (E_RNA) where: Base-Base interactions energy: -274.124 where: short stacking energy: -192.549 Base-Backbone interact. energy: 7.469 local terms energy: -479.800337 where: bonds (distance) C4'-P energy: -150.582 bonds (distance) P-C4' energy: -170.263 flat angles C4'-P-C4' energy: -133.863 flat angles P-C4'-P energy: -63.911 tors. eta vs tors. theta energy: 38.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3094.566457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.566457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.566457 (E_RNA) where: Base-Base interactions energy: -2121.253 where: short stacking energy: -899.959 Base-Backbone interact. energy: 3.904 local terms energy: -977.217593 where: bonds (distance) C4'-P energy: -188.216 bonds (distance) P-C4' energy: -180.155 flat angles C4'-P-C4' energy: -203.349 flat angles P-C4'-P energy: -135.564 tors. eta vs tors. theta energy: -269.933 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: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2886.034424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.034424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.034424 (E_RNA) where: Base-Base interactions energy: -1939.827 where: short stacking energy: -843.159 Base-Backbone interact. energy: -2.436 local terms energy: -943.771366 where: bonds (distance) C4'-P energy: -178.032 bonds (distance) P-C4' energy: -177.606 flat angles C4'-P-C4' energy: -220.326 flat angles P-C4'-P energy: -125.381 tors. eta vs tors. theta energy: -242.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2918.222172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.222172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.222172 (E_RNA) where: Base-Base interactions energy: -1995.974 where: short stacking energy: -837.331 Base-Backbone interact. energy: -6.434 local terms energy: -915.815139 where: bonds (distance) C4'-P energy: -180.450 bonds (distance) P-C4' energy: -170.585 flat angles C4'-P-C4' energy: -185.177 flat angles P-C4'-P energy: -126.340 tors. eta vs tors. theta energy: -253.263 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: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2732.937217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.937217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.937217 (E_RNA) where: Base-Base interactions energy: -1836.580 where: short stacking energy: -771.698 Base-Backbone interact. energy: -4.082 local terms energy: -892.275163 where: bonds (distance) C4'-P energy: -173.939 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -201.983 flat angles P-C4'-P energy: -132.799 tors. eta vs tors. theta energy: -237.743 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: 4 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2271.692677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.692677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.692677 (E_RNA) where: Base-Base interactions energy: -1501.265 where: short stacking energy: -648.987 Base-Backbone interact. energy: -2.795 local terms energy: -767.632706 where: bonds (distance) C4'-P energy: -160.749 bonds (distance) P-C4' energy: -160.976 flat angles C4'-P-C4' energy: -165.018 flat angles P-C4'-P energy: -117.308 tors. eta vs tors. theta energy: -163.582 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: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1951.114443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.114443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.114443 (E_RNA) where: Base-Base interactions energy: -1216.868 where: short stacking energy: -559.008 Base-Backbone interact. energy: -1.449 local terms energy: -732.798256 where: bonds (distance) C4'-P energy: -153.411 bonds (distance) P-C4' energy: -161.112 flat angles C4'-P-C4' energy: -164.123 flat angles P-C4'-P energy: -104.803 tors. eta vs tors. theta energy: -149.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1782.059752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.059752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.059752 (E_RNA) where: Base-Base interactions energy: -1099.926 where: short stacking energy: -493.476 Base-Backbone interact. energy: -1.359 local terms energy: -680.775453 where: bonds (distance) C4'-P energy: -162.889 bonds (distance) P-C4' energy: -153.550 flat angles C4'-P-C4' energy: -155.350 flat angles P-C4'-P energy: -85.918 tors. eta vs tors. theta energy: -123.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1178.447680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.447680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.447680 (E_RNA) where: Base-Base interactions energy: -626.854 where: short stacking energy: -323.532 Base-Backbone interact. energy: -4.062 local terms energy: -547.531494 where: bonds (distance) C4'-P energy: -149.985 bonds (distance) P-C4' energy: -169.740 flat angles C4'-P-C4' energy: -132.649 flat angles P-C4'-P energy: -89.484 tors. eta vs tors. theta energy: -5.674 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: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -772.679525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.679525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.679525 (E_RNA) where: Base-Base interactions energy: -319.955 where: short stacking energy: -175.151 Base-Backbone interact. energy: 2.998 local terms energy: -455.722321 where: bonds (distance) C4'-P energy: -142.695 bonds (distance) P-C4' energy: -157.779 flat angles C4'-P-C4' energy: -109.715 flat angles P-C4'-P energy: -78.439 tors. eta vs tors. theta energy: 32.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -671.929231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.929231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.929231 (E_RNA) where: Base-Base interactions energy: -259.216 where: short stacking energy: -186.151 Base-Backbone interact. energy: 2.421 local terms energy: -415.134128 where: bonds (distance) C4'-P energy: -139.654 bonds (distance) P-C4' energy: -134.136 flat angles C4'-P-C4' energy: -99.302 flat angles P-C4'-P energy: -81.003 tors. eta vs tors. theta energy: 38.961 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: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3088.936029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.936029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.936029 (E_RNA) where: Base-Base interactions energy: -2123.546 where: short stacking energy: -895.114 Base-Backbone interact. energy: -4.142 local terms energy: -961.248620 where: bonds (distance) C4'-P energy: -188.139 bonds (distance) P-C4' energy: -192.889 flat angles C4'-P-C4' energy: -190.125 flat angles P-C4'-P energy: -124.863 tors. eta vs tors. theta energy: -265.233 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: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2894.939709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.939709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.939709 (E_RNA) where: Base-Base interactions energy: -1964.788 where: short stacking energy: -821.539 Base-Backbone interact. energy: -1.538 local terms energy: -928.613821 where: bonds (distance) C4'-P energy: -154.259 bonds (distance) P-C4' energy: -180.662 flat angles C4'-P-C4' energy: -203.387 flat angles P-C4'-P energy: -141.255 tors. eta vs tors. theta energy: -249.051 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: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2871.322118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.322118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.322118 (E_RNA) where: Base-Base interactions energy: -1955.351 where: short stacking energy: -785.478 Base-Backbone interact. energy: -2.968 local terms energy: -913.003274 where: bonds (distance) C4'-P energy: -185.363 bonds (distance) P-C4' energy: -165.365 flat angles C4'-P-C4' energy: -194.148 flat angles P-C4'-P energy: -129.165 tors. eta vs tors. theta energy: -238.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2713.208783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.208783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.208783 (E_RNA) where: Base-Base interactions energy: -1859.603 where: short stacking energy: -741.844 Base-Backbone interact. energy: -5.069 local terms energy: -848.537305 where: bonds (distance) C4'-P energy: -160.678 bonds (distance) P-C4' energy: -172.282 flat angles C4'-P-C4' energy: -182.174 flat angles P-C4'-P energy: -112.146 tors. eta vs tors. theta energy: -221.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2322.552396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.552396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.552396 (E_RNA) where: Base-Base interactions energy: -1559.453 where: short stacking energy: -651.196 Base-Backbone interact. energy: -0.194 local terms energy: -762.905292 where: bonds (distance) C4'-P energy: -148.757 bonds (distance) P-C4' energy: -165.564 flat angles C4'-P-C4' energy: -190.700 flat angles P-C4'-P energy: -100.917 tors. eta vs tors. theta energy: -156.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1972.428787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.428787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.428787 (E_RNA) where: Base-Base interactions energy: -1230.729 where: short stacking energy: -535.645 Base-Backbone interact. energy: -0.420 local terms energy: -741.280390 where: bonds (distance) C4'-P energy: -160.516 bonds (distance) P-C4' energy: -166.475 flat angles C4'-P-C4' energy: -184.629 flat angles P-C4'-P energy: -94.495 tors. eta vs tors. theta energy: -135.165 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: 9 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1715.813572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.813572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.813572 (E_RNA) where: Base-Base interactions energy: -1057.140 where: short stacking energy: -461.986 Base-Backbone interact. energy: 2.425 local terms energy: -661.098664 where: bonds (distance) C4'-P energy: -164.064 bonds (distance) P-C4' energy: -170.795 flat angles C4'-P-C4' energy: -132.022 flat angles P-C4'-P energy: -99.512 tors. eta vs tors. theta energy: -94.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1175.928885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.928885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.928885 (E_RNA) where: Base-Base interactions energy: -642.492 where: short stacking energy: -331.205 Base-Backbone interact. energy: -2.198 local terms energy: -531.238782 where: bonds (distance) C4'-P energy: -137.407 bonds (distance) P-C4' energy: -128.507 flat angles C4'-P-C4' energy: -154.000 flat angles P-C4'-P energy: -81.870 tors. eta vs tors. theta energy: -29.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -822.244332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.244332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.244332 (E_RNA) where: Base-Base interactions energy: -318.790 where: short stacking energy: -213.292 Base-Backbone interact. energy: 3.980 local terms energy: -507.434471 where: bonds (distance) C4'-P energy: -147.003 bonds (distance) P-C4' energy: -152.344 flat angles C4'-P-C4' energy: -128.806 flat angles P-C4'-P energy: -69.085 tors. eta vs tors. theta energy: -10.198 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: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -650.861084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.861084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.861084 (E_RNA) where: Base-Base interactions energy: -195.832 where: short stacking energy: -163.488 Base-Backbone interact. energy: 0.495 local terms energy: -455.524416 where: bonds (distance) C4'-P energy: -143.231 bonds (distance) P-C4' energy: -145.095 flat angles C4'-P-C4' energy: -147.949 flat angles P-C4'-P energy: -76.459 tors. eta vs tors. theta energy: 57.210 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: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3096.244083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.244083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.244083 (E_RNA) where: Base-Base interactions energy: -2106.904 where: short stacking energy: -882.752 Base-Backbone interact. energy: -4.291 local terms energy: -985.048363 where: bonds (distance) C4'-P energy: -183.841 bonds (distance) P-C4' energy: -200.815 flat angles C4'-P-C4' energy: -202.153 flat angles P-C4'-P energy: -136.710 tors. eta vs tors. theta energy: -261.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2900.782651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.782651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.782651 (E_RNA) where: Base-Base interactions energy: -1981.848 where: short stacking energy: -863.917 Base-Backbone interact. energy: 0.536 local terms energy: -919.470804 where: bonds (distance) C4'-P energy: -163.314 bonds (distance) P-C4' energy: -169.068 flat angles C4'-P-C4' energy: -198.215 flat angles P-C4'-P energy: -137.513 tors. eta vs tors. theta energy: -251.361 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: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2872.133669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.133669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.133669 (E_RNA) where: Base-Base interactions energy: -1962.858 where: short stacking energy: -845.070 Base-Backbone interact. energy: -1.491 local terms energy: -907.784550 where: bonds (distance) C4'-P energy: -150.763 bonds (distance) P-C4' energy: -164.694 flat angles C4'-P-C4' energy: -219.097 flat angles P-C4'-P energy: -119.246 tors. eta vs tors. theta energy: -253.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2677.909432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.909432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.909432 (E_RNA) where: Base-Base interactions energy: -1828.911 where: short stacking energy: -729.732 Base-Backbone interact. energy: -3.645 local terms energy: -845.354411 where: bonds (distance) C4'-P energy: -161.077 bonds (distance) P-C4' energy: -170.648 flat angles C4'-P-C4' energy: -178.483 flat angles P-C4'-P energy: -113.632 tors. eta vs tors. theta energy: -221.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2327.822310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.822310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.822310 (E_RNA) where: Base-Base interactions energy: -1570.859 where: short stacking energy: -659.250 Base-Backbone interact. energy: -2.572 local terms energy: -754.390872 where: bonds (distance) C4'-P energy: -161.164 bonds (distance) P-C4' energy: -155.293 flat angles C4'-P-C4' energy: -157.417 flat angles P-C4'-P energy: -120.129 tors. eta vs tors. theta energy: -160.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1999.510515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.510515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.510515 (E_RNA) where: Base-Base interactions energy: -1294.257 where: short stacking energy: -585.142 Base-Backbone interact. energy: 2.035 local terms energy: -707.288894 where: bonds (distance) C4'-P energy: -151.575 bonds (distance) P-C4' energy: -155.338 flat angles C4'-P-C4' energy: -161.798 flat angles P-C4'-P energy: -111.956 tors. eta vs tors. theta energy: -126.621 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: 7, replica: 9 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1644.059531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.059531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.059531 (E_RNA) where: Base-Base interactions energy: -1011.558 where: short stacking energy: -435.730 Base-Backbone interact. energy: -3.658 local terms energy: -628.842942 where: bonds (distance) C4'-P energy: -132.211 bonds (distance) P-C4' energy: -179.971 flat angles C4'-P-C4' energy: -143.629 flat angles P-C4'-P energy: -93.644 tors. eta vs tors. theta energy: -79.388 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: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1192.410627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.410627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.410627 (E_RNA) where: Base-Base interactions energy: -660.261 where: short stacking energy: -319.812 Base-Backbone interact. energy: -1.326 local terms energy: -530.823077 where: bonds (distance) C4'-P energy: -134.361 bonds (distance) P-C4' energy: -152.529 flat angles C4'-P-C4' energy: -139.443 flat angles P-C4'-P energy: -68.060 tors. eta vs tors. theta energy: -36.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -838.471328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.471328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.471328 (E_RNA) where: Base-Base interactions energy: -377.733 where: short stacking energy: -243.313 Base-Backbone interact. energy: 7.946 local terms energy: -468.684424 where: bonds (distance) C4'-P energy: -140.135 bonds (distance) P-C4' energy: -129.815 flat angles C4'-P-C4' energy: -131.446 flat angles P-C4'-P energy: -73.618 tors. eta vs tors. theta energy: 6.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -688.569756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.569756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.569756 (E_RNA) where: Base-Base interactions energy: -233.382 where: short stacking energy: -170.991 Base-Backbone interact. energy: 4.713 local terms energy: -459.900883 where: bonds (distance) C4'-P energy: -144.183 bonds (distance) P-C4' energy: -162.910 flat angles C4'-P-C4' energy: -116.103 flat angles P-C4'-P energy: -69.900 tors. eta vs tors. theta energy: 33.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3089.679200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.679200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.679200 (E_RNA) where: Base-Base interactions energy: -2132.797 where: short stacking energy: -897.054 Base-Backbone interact. energy: -5.879 local terms energy: -951.003565 where: bonds (distance) C4'-P energy: -182.142 bonds (distance) P-C4' energy: -164.748 flat angles C4'-P-C4' energy: -205.027 flat angles P-C4'-P energy: -119.449 tors. eta vs tors. theta energy: -279.638 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: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2881.349781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.349781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.349781 (E_RNA) where: Base-Base interactions energy: -1970.875 where: short stacking energy: -839.645 Base-Backbone interact. energy: -2.962 local terms energy: -907.511942 where: bonds (distance) C4'-P energy: -166.042 bonds (distance) P-C4' energy: -182.622 flat angles C4'-P-C4' energy: -205.662 flat angles P-C4'-P energy: -113.979 tors. eta vs tors. theta energy: -239.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2832.592087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.592087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.592087 (E_RNA) where: Base-Base interactions energy: -1942.554 where: short stacking energy: -803.443 Base-Backbone interact. energy: -4.002 local terms energy: -886.036555 where: bonds (distance) C4'-P energy: -155.400 bonds (distance) P-C4' energy: -177.561 flat angles C4'-P-C4' energy: -192.272 flat angles P-C4'-P energy: -129.409 tors. eta vs tors. theta energy: -231.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2693.134357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.134357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.134357 (E_RNA) where: Base-Base interactions energy: -1821.668 where: short stacking energy: -753.810 Base-Backbone interact. energy: -4.488 local terms energy: -866.977629 where: bonds (distance) C4'-P energy: -162.056 bonds (distance) P-C4' energy: -164.452 flat angles C4'-P-C4' energy: -187.502 flat angles P-C4'-P energy: -122.083 tors. eta vs tors. theta energy: -230.885 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: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2310.190642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.190642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.190642 (E_RNA) where: Base-Base interactions energy: -1539.534 where: short stacking energy: -687.089 Base-Backbone interact. energy: -5.274 local terms energy: -765.382917 where: bonds (distance) C4'-P energy: -155.900 bonds (distance) P-C4' energy: -164.503 flat angles C4'-P-C4' energy: -174.443 flat angles P-C4'-P energy: -98.768 tors. eta vs tors. theta energy: -171.768 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: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1977.402925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.402925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.402925 (E_RNA) where: Base-Base interactions energy: -1277.244 where: short stacking energy: -540.129 Base-Backbone interact. energy: 3.900 local terms energy: -704.058981 where: bonds (distance) C4'-P energy: -162.496 bonds (distance) P-C4' energy: -183.882 flat angles C4'-P-C4' energy: -167.131 flat angles P-C4'-P energy: -82.604 tors. eta vs tors. theta energy: -107.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1644.917512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.917512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.917512 (E_RNA) where: Base-Base interactions energy: -1055.266 where: short stacking energy: -465.666 Base-Backbone interact. energy: 6.484 local terms energy: -596.136084 where: bonds (distance) C4'-P energy: -155.371 bonds (distance) P-C4' energy: -124.657 flat angles C4'-P-C4' energy: -167.635 flat angles P-C4'-P energy: -88.668 tors. eta vs tors. theta energy: -59.806 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: 1 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1146.158250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.158250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.158250 (E_RNA) where: Base-Base interactions energy: -634.916 where: short stacking energy: -348.489 Base-Backbone interact. energy: -0.342 local terms energy: -510.900709 where: bonds (distance) C4'-P energy: -154.695 bonds (distance) P-C4' energy: -150.758 flat angles C4'-P-C4' energy: -131.189 flat angles P-C4'-P energy: -50.863 tors. eta vs tors. theta energy: -23.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -805.295475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.295475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.295475 (E_RNA) where: Base-Base interactions energy: -328.864 where: short stacking energy: -222.490 Base-Backbone interact. energy: 6.753 local terms energy: -483.184572 where: bonds (distance) C4'-P energy: -147.277 bonds (distance) P-C4' energy: -161.306 flat angles C4'-P-C4' energy: -143.877 flat angles P-C4'-P energy: -55.216 tors. eta vs tors. theta energy: 24.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -648.602864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.602864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.602864 (E_RNA) where: Base-Base interactions energy: -222.673 where: short stacking energy: -157.816 Base-Backbone interact. energy: -0.207 local terms energy: -425.722591 where: bonds (distance) C4'-P energy: -136.143 bonds (distance) P-C4' energy: -157.067 flat angles C4'-P-C4' energy: -112.527 flat angles P-C4'-P energy: -63.372 tors. eta vs tors. theta energy: 43.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3160.633585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.633585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.633585 (E_RNA) where: Base-Base interactions energy: -2176.195 where: short stacking energy: -904.622 Base-Backbone interact. energy: -2.080 local terms energy: -982.357966 where: bonds (distance) C4'-P energy: -180.705 bonds (distance) P-C4' energy: -182.902 flat angles C4'-P-C4' energy: -209.809 flat angles P-C4'-P energy: -131.114 tors. eta vs tors. theta energy: -277.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2865.951538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.951538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.951538 (E_RNA) where: Base-Base interactions energy: -1922.085 where: short stacking energy: -829.811 Base-Backbone interact. energy: -3.298 local terms energy: -940.567817 where: bonds (distance) C4'-P energy: -163.440 bonds (distance) P-C4' energy: -187.654 flat angles C4'-P-C4' energy: -212.889 flat angles P-C4'-P energy: -142.813 tors. eta vs tors. theta energy: -233.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2851.676747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.676747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.676747 (E_RNA) where: Base-Base interactions energy: -1976.172 where: short stacking energy: -781.694 Base-Backbone interact. energy: -2.934 local terms energy: -872.570444 where: bonds (distance) C4'-P energy: -155.973 bonds (distance) P-C4' energy: -164.559 flat angles C4'-P-C4' energy: -199.974 flat angles P-C4'-P energy: -118.577 tors. eta vs tors. theta energy: -233.488 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: 372 Temperature: 1.050000 Total energy: -2658.365697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.365697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.365697 (E_RNA) where: Base-Base interactions energy: -1787.753 where: short stacking energy: -753.696 Base-Backbone interact. energy: -0.080 local terms energy: -870.532715 where: bonds (distance) C4'-P energy: -163.219 bonds (distance) P-C4' energy: -181.812 flat angles C4'-P-C4' energy: -190.556 flat angles P-C4'-P energy: -111.362 tors. eta vs tors. theta energy: -223.584 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: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2321.841258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.841258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.841258 (E_RNA) where: Base-Base interactions energy: -1560.371 where: short stacking energy: -633.460 Base-Backbone interact. energy: 3.902 local terms energy: -765.372782 where: bonds (distance) C4'-P energy: -162.573 bonds (distance) P-C4' energy: -157.671 flat angles C4'-P-C4' energy: -170.172 flat angles P-C4'-P energy: -95.571 tors. eta vs tors. theta energy: -179.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1985.024673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.024673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.024673 (E_RNA) where: Base-Base interactions energy: -1251.061 where: short stacking energy: -544.606 Base-Backbone interact. energy: -4.093 local terms energy: -729.870635 where: bonds (distance) C4'-P energy: -171.252 bonds (distance) P-C4' energy: -154.395 flat angles C4'-P-C4' energy: -173.782 flat angles P-C4'-P energy: -94.824 tors. eta vs tors. theta energy: -135.619 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: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1685.042322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.042322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.042322 (E_RNA) where: Base-Base interactions energy: -1025.381 where: short stacking energy: -453.388 Base-Backbone interact. energy: -2.365 local terms energy: -657.296185 where: bonds (distance) C4'-P energy: -139.636 bonds (distance) P-C4' energy: -170.403 flat angles C4'-P-C4' energy: -142.113 flat angles P-C4'-P energy: -119.459 tors. eta vs tors. theta energy: -85.685 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: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1139.753782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.753782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.753782 (E_RNA) where: Base-Base interactions energy: -600.670 where: short stacking energy: -302.315 Base-Backbone interact. energy: -3.069 local terms energy: -536.014845 where: bonds (distance) C4'-P energy: -140.628 bonds (distance) P-C4' energy: -161.004 flat angles C4'-P-C4' energy: -136.853 flat angles P-C4'-P energy: -88.409 tors. eta vs tors. theta energy: -9.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -819.978709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.978709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.978709 (E_RNA) where: Base-Base interactions energy: -313.740 where: short stacking energy: -227.653 Base-Backbone interact. energy: 3.092 local terms energy: -509.331010 where: bonds (distance) C4'-P energy: -133.867 bonds (distance) P-C4' energy: -155.815 flat angles C4'-P-C4' energy: -156.252 flat angles P-C4'-P energy: -89.527 tors. eta vs tors. theta energy: 26.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -651.631453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.631453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.631453 (E_RNA) where: Base-Base interactions energy: -212.346 where: short stacking energy: -147.616 Base-Backbone interact. energy: 3.967 local terms energy: -443.251931 where: bonds (distance) C4'-P energy: -134.732 bonds (distance) P-C4' energy: -164.473 flat angles C4'-P-C4' energy: -133.665 flat angles P-C4'-P energy: -80.894 tors. eta vs tors. theta energy: 70.512 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: 7 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3082.567983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.567983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.567983 (E_RNA) where: Base-Base interactions energy: -2114.343 where: short stacking energy: -850.552 Base-Backbone interact. energy: -2.877 local terms energy: -965.347231 where: bonds (distance) C4'-P energy: -181.013 bonds (distance) P-C4' energy: -190.712 flat angles C4'-P-C4' energy: -205.349 flat angles P-C4'-P energy: -137.555 tors. eta vs tors. theta energy: -250.719 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: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2950.001677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.001677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.001677 (E_RNA) where: Base-Base interactions energy: -2018.054 where: short stacking energy: -838.076 Base-Backbone interact. energy: -2.446 local terms energy: -929.501240 where: bonds (distance) C4'-P energy: -162.885 bonds (distance) P-C4' energy: -183.346 flat angles C4'-P-C4' energy: -199.474 flat angles P-C4'-P energy: -128.635 tors. eta vs tors. theta energy: -255.160 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: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2792.310797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.310797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.310797 (E_RNA) where: Base-Base interactions energy: -1909.200 where: short stacking energy: -811.383 Base-Backbone interact. energy: 0.804 local terms energy: -883.914116 where: bonds (distance) C4'-P energy: -164.683 bonds (distance) P-C4' energy: -162.542 flat angles C4'-P-C4' energy: -191.027 flat angles P-C4'-P energy: -135.793 tors. eta vs tors. theta energy: -229.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2698.440738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.440738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.440738 (E_RNA) where: Base-Base interactions energy: -1823.233 where: short stacking energy: -752.577 Base-Backbone interact. energy: -3.042 local terms energy: -872.165721 where: bonds (distance) C4'-P energy: -159.627 bonds (distance) P-C4' energy: -162.480 flat angles C4'-P-C4' energy: -196.489 flat angles P-C4'-P energy: -120.965 tors. eta vs tors. theta energy: -232.604 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: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2359.543435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.543435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.543435 (E_RNA) where: Base-Base interactions energy: -1547.104 where: short stacking energy: -655.232 Base-Backbone interact. energy: 3.304 local terms energy: -815.743730 where: bonds (distance) C4'-P energy: -163.198 bonds (distance) P-C4' energy: -158.976 flat angles C4'-P-C4' energy: -174.161 flat angles P-C4'-P energy: -122.369 tors. eta vs tors. theta energy: -197.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2054.093354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.093354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.093354 (E_RNA) where: Base-Base interactions energy: -1321.232 where: short stacking energy: -562.473 Base-Backbone interact. energy: -7.889 local terms energy: -724.972069 where: bonds (distance) C4'-P energy: -150.729 bonds (distance) P-C4' energy: -166.962 flat angles C4'-P-C4' energy: -164.146 flat angles P-C4'-P energy: -117.186 tors. eta vs tors. theta energy: -125.949 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: 7, replica: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1698.015278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.015278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.015278 (E_RNA) where: Base-Base interactions energy: -1040.865 where: short stacking energy: -463.569 Base-Backbone interact. energy: -0.528 local terms energy: -656.621940 where: bonds (distance) C4'-P energy: -120.587 bonds (distance) P-C4' energy: -174.017 flat angles C4'-P-C4' energy: -161.858 flat angles P-C4'-P energy: -103.566 tors. eta vs tors. theta energy: -96.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1126.843389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.843389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.843389 (E_RNA) where: Base-Base interactions energy: -572.399 where: short stacking energy: -278.389 Base-Backbone interact. energy: -4.046 local terms energy: -550.397842 where: bonds (distance) C4'-P energy: -150.868 bonds (distance) P-C4' energy: -158.168 flat angles C4'-P-C4' energy: -150.894 flat angles P-C4'-P energy: -81.400 tors. eta vs tors. theta energy: -9.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -749.872202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.872202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.872202 (E_RNA) where: Base-Base interactions energy: -280.798 where: short stacking energy: -203.470 Base-Backbone interact. energy: 1.509 local terms energy: -470.583238 where: bonds (distance) C4'-P energy: -130.259 bonds (distance) P-C4' energy: -155.713 flat angles C4'-P-C4' energy: -136.528 flat angles P-C4'-P energy: -75.692 tors. eta vs tors. theta energy: 27.608 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: 8 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -654.081729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.081729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.081729 (E_RNA) where: Base-Base interactions energy: -210.015 where: short stacking energy: -179.629 Base-Backbone interact. energy: 0.295 local terms energy: -444.362370 where: bonds (distance) C4'-P energy: -128.880 bonds (distance) P-C4' energy: -151.200 flat angles C4'-P-C4' energy: -116.563 flat angles P-C4'-P energy: -83.974 tors. eta vs tors. theta energy: 36.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3079.339521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.339521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.339521 (E_RNA) where: Base-Base interactions energy: -2100.999 where: short stacking energy: -883.559 Base-Backbone interact. energy: -6.849 local terms energy: -971.491060 where: bonds (distance) C4'-P energy: -185.072 bonds (distance) P-C4' energy: -175.021 flat angles C4'-P-C4' energy: -206.242 flat angles P-C4'-P energy: -139.268 tors. eta vs tors. theta energy: -265.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2940.165709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.165709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.165709 (E_RNA) where: Base-Base interactions energy: -1987.326 where: short stacking energy: -833.072 Base-Backbone interact. energy: 5.376 local terms energy: -958.215705 where: bonds (distance) C4'-P energy: -184.797 bonds (distance) P-C4' energy: -179.703 flat angles C4'-P-C4' energy: -212.717 flat angles P-C4'-P energy: -126.698 tors. eta vs tors. theta energy: -254.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2807.421102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.421102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.421102 (E_RNA) where: Base-Base interactions energy: -1902.027 where: short stacking energy: -820.511 Base-Backbone interact. energy: -3.299 local terms energy: -902.095188 where: bonds (distance) C4'-P energy: -172.729 bonds (distance) P-C4' energy: -178.068 flat angles C4'-P-C4' energy: -181.269 flat angles P-C4'-P energy: -133.084 tors. eta vs tors. theta energy: -236.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2722.262187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.262187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.262187 (E_RNA) where: Base-Base interactions energy: -1851.242 where: short stacking energy: -758.573 Base-Backbone interact. energy: -4.062 local terms energy: -866.958534 where: bonds (distance) C4'-P energy: -150.404 bonds (distance) P-C4' energy: -174.822 flat angles C4'-P-C4' energy: -191.884 flat angles P-C4'-P energy: -118.319 tors. eta vs tors. theta energy: -231.529 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: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2362.504873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.504873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.504873 (E_RNA) where: Base-Base interactions energy: -1555.181 where: short stacking energy: -666.896 Base-Backbone interact. energy: -0.333 local terms energy: -806.991682 where: bonds (distance) C4'-P energy: -183.743 bonds (distance) P-C4' energy: -161.397 flat angles C4'-P-C4' energy: -169.994 flat angles P-C4'-P energy: -108.998 tors. eta vs tors. theta energy: -182.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2040.791680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.791680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.791680 (E_RNA) where: Base-Base interactions energy: -1288.915 where: short stacking energy: -547.728 Base-Backbone interact. energy: 0.670 local terms energy: -752.546461 where: bonds (distance) C4'-P energy: -136.847 bonds (distance) P-C4' energy: -165.593 flat angles C4'-P-C4' energy: -178.779 flat angles P-C4'-P energy: -128.058 tors. eta vs tors. theta energy: -143.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1706.100273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.100273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.100273 (E_RNA) where: Base-Base interactions energy: -1065.290 where: short stacking energy: -504.746 Base-Backbone interact. energy: 0.967 local terms energy: -641.777463 where: bonds (distance) C4'-P energy: -129.814 bonds (distance) P-C4' energy: -148.922 flat angles C4'-P-C4' energy: -145.897 flat angles P-C4'-P energy: -113.796 tors. eta vs tors. theta energy: -103.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1155.947490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.947490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.947490 (E_RNA) where: Base-Base interactions energy: -598.167 where: short stacking energy: -290.484 Base-Backbone interact. energy: 5.159 local terms energy: -562.940126 where: bonds (distance) C4'-P energy: -154.171 bonds (distance) P-C4' energy: -160.404 flat angles C4'-P-C4' energy: -143.034 flat angles P-C4'-P energy: -86.666 tors. eta vs tors. theta energy: -18.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -725.069153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.069153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.069153 (E_RNA) where: Base-Base interactions energy: -275.732 where: short stacking energy: -185.485 Base-Backbone interact. energy: 1.651 local terms energy: -450.988563 where: bonds (distance) C4'-P energy: -131.888 bonds (distance) P-C4' energy: -160.985 flat angles C4'-P-C4' energy: -117.402 flat angles P-C4'-P energy: -68.873 tors. eta vs tors. theta energy: 28.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -685.561802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.561802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.561802 (E_RNA) where: Base-Base interactions energy: -260.892 where: short stacking energy: -183.454 Base-Backbone interact. energy: 0.593 local terms energy: -425.262963 where: bonds (distance) C4'-P energy: -125.620 bonds (distance) P-C4' energy: -167.874 flat angles C4'-P-C4' energy: -98.036 flat angles P-C4'-P energy: -72.802 tors. eta vs tors. theta energy: 39.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3094.950192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.950192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.950192 (E_RNA) where: Base-Base interactions energy: -2088.601 where: short stacking energy: -869.076 Base-Backbone interact. energy: -7.015 local terms energy: -999.334475 where: bonds (distance) C4'-P energy: -184.799 bonds (distance) P-C4' energy: -171.527 flat angles C4'-P-C4' energy: -211.834 flat angles P-C4'-P energy: -166.836 tors. eta vs tors. theta energy: -264.338 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: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2934.775352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.775352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.775352 (E_RNA) where: Base-Base interactions energy: -1988.318 where: short stacking energy: -854.097 Base-Backbone interact. energy: 3.701 local terms energy: -950.158435 where: bonds (distance) C4'-P energy: -179.695 bonds (distance) P-C4' energy: -177.344 flat angles C4'-P-C4' energy: -205.503 flat angles P-C4'-P energy: -123.603 tors. eta vs tors. theta energy: -264.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2849.391254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.391254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.391254 (E_RNA) where: Base-Base interactions energy: -1926.239 where: short stacking energy: -837.246 Base-Backbone interact. energy: -3.171 local terms energy: -919.981804 where: bonds (distance) C4'-P energy: -174.970 bonds (distance) P-C4' energy: -174.565 flat angles C4'-P-C4' energy: -181.175 flat angles P-C4'-P energy: -135.139 tors. eta vs tors. theta energy: -254.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2740.550636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.550636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.550636 (E_RNA) where: Base-Base interactions energy: -1832.549 where: short stacking energy: -760.039 Base-Backbone interact. energy: -3.155 local terms energy: -904.846648 where: bonds (distance) C4'-P energy: -165.087 bonds (distance) P-C4' energy: -177.646 flat angles C4'-P-C4' energy: -195.188 flat angles P-C4'-P energy: -130.305 tors. eta vs tors. theta energy: -236.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2332.400113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.400113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.400113 (E_RNA) where: Base-Base interactions energy: -1540.982 where: short stacking energy: -695.364 Base-Backbone interact. energy: -2.961 local terms energy: -788.457611 where: bonds (distance) C4'-P energy: -128.561 bonds (distance) P-C4' energy: -158.231 flat angles C4'-P-C4' energy: -175.642 flat angles P-C4'-P energy: -131.742 tors. eta vs tors. theta energy: -194.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2047.654110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.654110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.654110 (E_RNA) where: Base-Base interactions energy: -1310.472 where: short stacking energy: -563.302 Base-Backbone interact. energy: 3.744 local terms energy: -740.926103 where: bonds (distance) C4'-P energy: -147.554 bonds (distance) P-C4' energy: -165.685 flat angles C4'-P-C4' energy: -166.892 flat angles P-C4'-P energy: -109.597 tors. eta vs tors. theta energy: -151.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1672.775410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.775410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.775410 (E_RNA) where: Base-Base interactions energy: -998.897 where: short stacking energy: -439.637 Base-Backbone interact. energy: -3.074 local terms energy: -670.804739 where: bonds (distance) C4'-P energy: -157.109 bonds (distance) P-C4' energy: -157.699 flat angles C4'-P-C4' energy: -165.714 flat angles P-C4'-P energy: -85.877 tors. eta vs tors. theta energy: -104.407 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: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1129.991514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.991514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.991514 (E_RNA) where: Base-Base interactions energy: -588.470 where: short stacking energy: -299.292 Base-Backbone interact. energy: -3.322 local terms energy: -538.199594 where: bonds (distance) C4'-P energy: -127.608 bonds (distance) P-C4' energy: -160.749 flat angles C4'-P-C4' energy: -130.892 flat angles P-C4'-P energy: -104.048 tors. eta vs tors. theta energy: -14.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -770.865519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.865519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.865519 (E_RNA) where: Base-Base interactions energy: -324.715 where: short stacking energy: -221.025 Base-Backbone interact. energy: -0.075 local terms energy: -446.075541 where: bonds (distance) C4'-P energy: -149.760 bonds (distance) P-C4' energy: -133.363 flat angles C4'-P-C4' energy: -146.412 flat angles P-C4'-P energy: -61.070 tors. eta vs tors. theta energy: 44.528 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: 8 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -678.808730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.808730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.808730 (E_RNA) where: Base-Base interactions energy: -255.151 where: short stacking energy: -170.421 Base-Backbone interact. energy: 7.405 local terms energy: -431.062286 where: bonds (distance) C4'-P energy: -151.796 bonds (distance) P-C4' energy: -148.306 flat angles C4'-P-C4' energy: -126.468 flat angles P-C4'-P energy: -60.080 tors. eta vs tors. theta energy: 55.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3106.777455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.777455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.777455 (E_RNA) where: Base-Base interactions energy: -2103.921 where: short stacking energy: -874.305 Base-Backbone interact. energy: -5.384 local terms energy: -997.471571 where: bonds (distance) C4'-P energy: -186.148 bonds (distance) P-C4' energy: -176.807 flat angles C4'-P-C4' energy: -207.069 flat angles P-C4'-P energy: -150.582 tors. eta vs tors. theta energy: -276.866 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: 2, replica: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2942.593310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.593310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.593310 (E_RNA) where: Base-Base interactions energy: -1998.713 where: short stacking energy: -826.432 Base-Backbone interact. energy: 0.344 local terms energy: -944.224168 where: bonds (distance) C4'-P energy: -169.057 bonds (distance) P-C4' energy: -181.190 flat angles C4'-P-C4' energy: -207.218 flat angles P-C4'-P energy: -136.104 tors. eta vs tors. theta energy: -250.655 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: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2873.999748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.999748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.999748 (E_RNA) where: Base-Base interactions energy: -1965.649 where: short stacking energy: -822.863 Base-Backbone interact. energy: -3.356 local terms energy: -904.994650 where: bonds (distance) C4'-P energy: -177.725 bonds (distance) P-C4' energy: -168.275 flat angles C4'-P-C4' energy: -186.701 flat angles P-C4'-P energy: -128.334 tors. eta vs tors. theta energy: -243.960 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: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2715.240131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.240131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.240131 (E_RNA) where: Base-Base interactions energy: -1831.019 where: short stacking energy: -767.851 Base-Backbone interact. energy: -5.353 local terms energy: -878.868619 where: bonds (distance) C4'-P energy: -175.939 bonds (distance) P-C4' energy: -163.436 flat angles C4'-P-C4' energy: -183.260 flat angles P-C4'-P energy: -123.099 tors. eta vs tors. theta energy: -233.135 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: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2344.775466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.775466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.775466 (E_RNA) where: Base-Base interactions energy: -1555.348 where: short stacking energy: -667.914 Base-Backbone interact. energy: -1.848 local terms energy: -787.579359 where: bonds (distance) C4'-P energy: -155.059 bonds (distance) P-C4' energy: -158.076 flat angles C4'-P-C4' energy: -174.793 flat angles P-C4'-P energy: -111.541 tors. eta vs tors. theta energy: -188.112 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: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2191.588123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.588123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.588123 (E_RNA) where: Base-Base interactions energy: -1454.759 where: short stacking energy: -621.182 Base-Backbone interact. energy: 0.409 local terms energy: -737.238276 where: bonds (distance) C4'-P energy: -161.953 bonds (distance) P-C4' energy: -139.608 flat angles C4'-P-C4' energy: -178.988 flat angles P-C4'-P energy: -94.936 tors. eta vs tors. theta energy: -161.754 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: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1694.433434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.433434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.433434 (E_RNA) where: Base-Base interactions energy: -1052.297 where: short stacking energy: -440.603 Base-Backbone interact. energy: 1.664 local terms energy: -643.800976 where: bonds (distance) C4'-P energy: -147.862 bonds (distance) P-C4' energy: -154.163 flat angles C4'-P-C4' energy: -162.556 flat angles P-C4'-P energy: -108.822 tors. eta vs tors. theta energy: -70.398 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: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1147.847003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.847003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.847003 (E_RNA) where: Base-Base interactions energy: -592.826 where: short stacking energy: -310.268 Base-Backbone interact. energy: -3.335 local terms energy: -551.686512 where: bonds (distance) C4'-P energy: -151.354 bonds (distance) P-C4' energy: -155.132 flat angles C4'-P-C4' energy: -142.957 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: -27.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -714.024019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.024019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.024019 (E_RNA) where: Base-Base interactions energy: -219.348 where: short stacking energy: -162.773 Base-Backbone interact. energy: -0.764 local terms energy: -493.912459 where: bonds (distance) C4'-P energy: -143.657 bonds (distance) P-C4' energy: -164.784 flat angles C4'-P-C4' energy: -128.511 flat angles P-C4'-P energy: -71.012 tors. eta vs tors. theta energy: 14.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -651.538328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.538328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.538328 (E_RNA) where: Base-Base interactions energy: -241.041 where: short stacking energy: -160.920 Base-Backbone interact. energy: 2.158 local terms energy: -412.654880 where: bonds (distance) C4'-P energy: -147.281 bonds (distance) P-C4' energy: -128.499 flat angles C4'-P-C4' energy: -110.155 flat angles P-C4'-P energy: -77.557 tors. eta vs tors. theta energy: 50.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3090.073365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.073365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.073365 (E_RNA) where: Base-Base interactions energy: -2141.683 where: short stacking energy: -862.449 Base-Backbone interact. energy: -3.055 local terms energy: -945.334571 where: bonds (distance) C4'-P energy: -178.335 bonds (distance) P-C4' energy: -178.359 flat angles C4'-P-C4' energy: -204.519 flat angles P-C4'-P energy: -129.265 tors. eta vs tors. theta energy: -254.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2953.144843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.144843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.144843 (E_RNA) where: Base-Base interactions energy: -2003.987 where: short stacking energy: -843.211 Base-Backbone interact. energy: -0.172 local terms energy: -948.986295 where: bonds (distance) C4'-P energy: -184.763 bonds (distance) P-C4' energy: -170.997 flat angles C4'-P-C4' energy: -202.559 flat angles P-C4'-P energy: -134.423 tors. eta vs tors. theta energy: -256.244 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: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2839.893747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.893747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.893747 (E_RNA) where: Base-Base interactions energy: -1943.245 where: short stacking energy: -796.052 Base-Backbone interact. energy: 0.001 local terms energy: -896.649618 where: bonds (distance) C4'-P energy: -166.613 bonds (distance) P-C4' energy: -185.098 flat angles C4'-P-C4' energy: -197.021 flat angles P-C4'-P energy: -114.105 tors. eta vs tors. theta energy: -233.813 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: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2693.783740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.783740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.783740 (E_RNA) where: Base-Base interactions energy: -1814.178 where: short stacking energy: -766.630 Base-Backbone interact. energy: -2.030 local terms energy: -877.576231 where: bonds (distance) C4'-P energy: -160.781 bonds (distance) P-C4' energy: -162.459 flat angles C4'-P-C4' energy: -192.534 flat angles P-C4'-P energy: -119.453 tors. eta vs tors. theta energy: -242.349 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: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2361.814307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.814307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.814307 (E_RNA) where: Base-Base interactions energy: -1590.836 where: short stacking energy: -690.833 Base-Backbone interact. energy: 4.336 local terms energy: -775.313883 where: bonds (distance) C4'-P energy: -137.688 bonds (distance) P-C4' energy: -166.501 flat angles C4'-P-C4' energy: -173.628 flat angles P-C4'-P energy: -102.408 tors. eta vs tors. theta energy: -195.088 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: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2175.840630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.840630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.840630 (E_RNA) where: Base-Base interactions energy: -1412.528 where: short stacking energy: -611.625 Base-Backbone interact. energy: -1.490 local terms energy: -761.822846 where: bonds (distance) C4'-P energy: -160.450 bonds (distance) P-C4' energy: -154.556 flat angles C4'-P-C4' energy: -178.633 flat angles P-C4'-P energy: -104.223 tors. eta vs tors. theta energy: -163.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1713.428103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.428103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.428103 (E_RNA) where: Base-Base interactions energy: -1083.426 where: short stacking energy: -491.662 Base-Backbone interact. energy: -2.700 local terms energy: -627.301916 where: bonds (distance) C4'-P energy: -139.961 bonds (distance) P-C4' energy: -150.563 flat angles C4'-P-C4' energy: -163.955 flat angles P-C4'-P energy: -74.141 tors. eta vs tors. theta energy: -98.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1154.901059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.901059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.901059 (E_RNA) where: Base-Base interactions energy: -621.920 where: short stacking energy: -325.588 Base-Backbone interact. energy: 2.535 local terms energy: -535.515929 where: bonds (distance) C4'-P energy: -150.677 bonds (distance) P-C4' energy: -153.595 flat angles C4'-P-C4' energy: -144.795 flat angles P-C4'-P energy: -78.718 tors. eta vs tors. theta energy: -7.731 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: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -715.942522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.942522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.942522 (E_RNA) where: Base-Base interactions energy: -226.591 where: short stacking energy: -189.603 Base-Backbone interact. energy: -1.996 local terms energy: -487.354985 where: bonds (distance) C4'-P energy: -146.958 bonds (distance) P-C4' energy: -166.449 flat angles C4'-P-C4' energy: -126.048 flat angles P-C4'-P energy: -87.168 tors. eta vs tors. theta energy: 39.268 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: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -739.582953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.582953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.582953 (E_RNA) where: Base-Base interactions energy: -294.810 where: short stacking energy: -184.387 Base-Backbone interact. energy: 8.304 local terms energy: -453.077021 where: bonds (distance) C4'-P energy: -139.358 bonds (distance) P-C4' energy: -137.126 flat angles C4'-P-C4' energy: -123.651 flat angles P-C4'-P energy: -89.925 tors. eta vs tors. theta energy: 36.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3101.139204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.139204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.139204 (E_RNA) where: Base-Base interactions energy: -2142.418 where: short stacking energy: -884.127 Base-Backbone interact. energy: -6.440 local terms energy: -952.281000 where: bonds (distance) C4'-P energy: -175.425 bonds (distance) P-C4' energy: -189.918 flat angles C4'-P-C4' energy: -194.998 flat angles P-C4'-P energy: -129.288 tors. eta vs tors. theta energy: -262.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2936.229914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.229914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.229914 (E_RNA) where: Base-Base interactions energy: -2014.224 where: short stacking energy: -854.496 Base-Backbone interact. energy: -2.054 local terms energy: -919.951580 where: bonds (distance) C4'-P energy: -171.229 bonds (distance) P-C4' energy: -159.535 flat angles C4'-P-C4' energy: -200.862 flat angles P-C4'-P energy: -129.735 tors. eta vs tors. theta energy: -258.590 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: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2849.115578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.115578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.115578 (E_RNA) where: Base-Base interactions energy: -1927.636 where: short stacking energy: -833.480 Base-Backbone interact. energy: -3.279 local terms energy: -918.200101 where: bonds (distance) C4'-P energy: -159.718 bonds (distance) P-C4' energy: -189.975 flat angles C4'-P-C4' energy: -196.120 flat angles P-C4'-P energy: -132.257 tors. eta vs tors. theta energy: -240.131 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: 378 Temperature: 1.050000 Total energy: -2711.578665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.578665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.578665 (E_RNA) where: Base-Base interactions energy: -1837.106 where: short stacking energy: -774.052 Base-Backbone interact. energy: -0.442 local terms energy: -874.030610 where: bonds (distance) C4'-P energy: -171.057 bonds (distance) P-C4' energy: -179.486 flat angles C4'-P-C4' energy: -173.009 flat angles P-C4'-P energy: -124.849 tors. eta vs tors. theta energy: -225.630 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: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2261.438122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.438122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.438122 (E_RNA) where: Base-Base interactions energy: -1472.226 where: short stacking energy: -634.121 Base-Backbone interact. energy: -2.495 local terms energy: -786.717034 where: bonds (distance) C4'-P energy: -152.275 bonds (distance) P-C4' energy: -167.682 flat angles C4'-P-C4' energy: -178.430 flat angles P-C4'-P energy: -111.563 tors. eta vs tors. theta energy: -176.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2164.095839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.095839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.095839 (E_RNA) where: Base-Base interactions energy: -1428.367 where: short stacking energy: -633.257 Base-Backbone interact. energy: 2.240 local terms energy: -737.968224 where: bonds (distance) C4'-P energy: -153.521 bonds (distance) P-C4' energy: -146.691 flat angles C4'-P-C4' energy: -182.683 flat angles P-C4'-P energy: -96.058 tors. eta vs tors. theta energy: -159.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1712.847521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.847521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.847521 (E_RNA) where: Base-Base interactions energy: -1062.603 where: short stacking energy: -451.376 Base-Backbone interact. energy: -3.313 local terms energy: -646.931089 where: bonds (distance) C4'-P energy: -167.237 bonds (distance) P-C4' energy: -153.171 flat angles C4'-P-C4' energy: -151.659 flat angles P-C4'-P energy: -89.237 tors. eta vs tors. theta energy: -85.627 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: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1160.251640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.251640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.251640 (E_RNA) where: Base-Base interactions energy: -601.009 where: short stacking energy: -324.391 Base-Backbone interact. energy: -5.256 local terms energy: -553.985911 where: bonds (distance) C4'-P energy: -143.035 bonds (distance) P-C4' energy: -135.144 flat angles C4'-P-C4' energy: -145.007 flat angles P-C4'-P energy: -84.027 tors. eta vs tors. theta energy: -46.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -776.758508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.758508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.758508 (E_RNA) where: Base-Base interactions energy: -317.117 where: short stacking energy: -184.917 Base-Backbone interact. energy: -0.501 local terms energy: -459.140689 where: bonds (distance) C4'-P energy: -148.790 bonds (distance) P-C4' energy: -157.148 flat angles C4'-P-C4' energy: -133.432 flat angles P-C4'-P energy: -74.300 tors. eta vs tors. theta energy: 54.529 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: 5 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -655.448172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.448172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.448172 (E_RNA) where: Base-Base interactions energy: -221.200 where: short stacking energy: -166.491 Base-Backbone interact. energy: 0.745 local terms energy: -434.992601 where: bonds (distance) C4'-P energy: -154.647 bonds (distance) P-C4' energy: -136.549 flat angles C4'-P-C4' energy: -105.957 flat angles P-C4'-P energy: -85.808 tors. eta vs tors. theta energy: 47.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3082.496404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.496404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.496404 (E_RNA) where: Base-Base interactions energy: -2095.236 where: short stacking energy: -889.340 Base-Backbone interact. energy: -6.536 local terms energy: -980.724496 where: bonds (distance) C4'-P energy: -185.715 bonds (distance) P-C4' energy: -190.727 flat angles C4'-P-C4' energy: -213.518 flat angles P-C4'-P energy: -127.151 tors. eta vs tors. theta energy: -263.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2950.089907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.089907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.089907 (E_RNA) where: Base-Base interactions energy: -2013.842 where: short stacking energy: -849.057 Base-Backbone interact. energy: -0.811 local terms energy: -935.437202 where: bonds (distance) C4'-P energy: -187.141 bonds (distance) P-C4' energy: -185.973 flat angles C4'-P-C4' energy: -200.120 flat angles P-C4'-P energy: -113.431 tors. eta vs tors. theta energy: -248.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2865.159913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.159913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.159913 (E_RNA) where: Base-Base interactions energy: -1957.595 where: short stacking energy: -852.547 Base-Backbone interact. energy: -4.357 local terms energy: -903.207889 where: bonds (distance) C4'-P energy: -155.821 bonds (distance) P-C4' energy: -168.369 flat angles C4'-P-C4' energy: -200.041 flat angles P-C4'-P energy: -127.401 tors. eta vs tors. theta energy: -251.576 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: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2699.244019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.244019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.244019 (E_RNA) where: Base-Base interactions energy: -1847.894 where: short stacking energy: -762.776 Base-Backbone interact. energy: -1.465 local terms energy: -849.885238 where: bonds (distance) C4'-P energy: -151.152 bonds (distance) P-C4' energy: -166.789 flat angles C4'-P-C4' energy: -183.067 flat angles P-C4'-P energy: -116.550 tors. eta vs tors. theta energy: -232.327 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: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2341.119258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.119258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.119258 (E_RNA) where: Base-Base interactions energy: -1528.679 where: short stacking energy: -677.016 Base-Backbone interact. energy: -1.804 local terms energy: -810.636691 where: bonds (distance) C4'-P energy: -154.001 bonds (distance) P-C4' energy: -177.941 flat angles C4'-P-C4' energy: -165.826 flat angles P-C4'-P energy: -122.085 tors. eta vs tors. theta energy: -190.784 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: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2194.620377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.620377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.620377 (E_RNA) where: Base-Base interactions energy: -1445.490 where: short stacking energy: -593.245 Base-Backbone interact. energy: -1.159 local terms energy: -747.971941 where: bonds (distance) C4'-P energy: -137.405 bonds (distance) P-C4' energy: -153.512 flat angles C4'-P-C4' energy: -165.289 flat angles P-C4'-P energy: -126.100 tors. eta vs tors. theta energy: -165.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1698.772619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.772619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.772619 (E_RNA) where: Base-Base interactions energy: -1066.680 where: short stacking energy: -442.824 Base-Backbone interact. energy: 2.481 local terms energy: -634.574334 where: bonds (distance) C4'-P energy: -155.257 bonds (distance) P-C4' energy: -146.051 flat angles C4'-P-C4' energy: -161.468 flat angles P-C4'-P energy: -90.055 tors. eta vs tors. theta energy: -81.743 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: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1222.616101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.616101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.616101 (E_RNA) where: Base-Base interactions energy: -643.646 where: short stacking energy: -281.299 Base-Backbone interact. energy: -5.591 local terms energy: -573.379542 where: bonds (distance) C4'-P energy: -157.086 bonds (distance) P-C4' energy: -153.069 flat angles C4'-P-C4' energy: -141.865 flat angles P-C4'-P energy: -99.453 tors. eta vs tors. theta energy: -21.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -869.330346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.330346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.330346 (E_RNA) where: Base-Base interactions energy: -372.829 where: short stacking energy: -225.478 Base-Backbone interact. energy: 0.138 local terms energy: -496.639636 where: bonds (distance) C4'-P energy: -159.133 bonds (distance) P-C4' energy: -150.340 flat angles C4'-P-C4' energy: -135.191 flat angles P-C4'-P energy: -83.327 tors. eta vs tors. theta energy: 31.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -656.623522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.623522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.623522 (E_RNA) where: Base-Base interactions energy: -215.273 where: short stacking energy: -171.800 Base-Backbone interact. energy: 5.739 local terms energy: -447.089985 where: bonds (distance) C4'-P energy: -140.486 bonds (distance) P-C4' energy: -144.577 flat angles C4'-P-C4' energy: -122.703 flat angles P-C4'-P energy: -75.838 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: 1, replica: 7 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3075.180380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.180380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.180380 (E_RNA) where: Base-Base interactions energy: -2126.876 where: short stacking energy: -874.536 Base-Backbone interact. energy: -5.425 local terms energy: -942.879421 where: bonds (distance) C4'-P energy: -182.262 bonds (distance) P-C4' energy: -168.885 flat angles C4'-P-C4' energy: -201.434 flat angles P-C4'-P energy: -127.264 tors. eta vs tors. theta energy: -263.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2963.988772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.988772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.988772 (E_RNA) where: Base-Base interactions energy: -2018.956 where: short stacking energy: -815.923 Base-Backbone interact. energy: -1.129 local terms energy: -943.903810 where: bonds (distance) C4'-P energy: -173.264 bonds (distance) P-C4' energy: -183.760 flat angles C4'-P-C4' energy: -211.807 flat angles P-C4'-P energy: -116.583 tors. eta vs tors. theta energy: -258.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2838.161257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.161257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.161257 (E_RNA) where: Base-Base interactions energy: -1942.699 where: short stacking energy: -830.080 Base-Backbone interact. energy: 0.738 local terms energy: -896.200510 where: bonds (distance) C4'-P energy: -164.917 bonds (distance) P-C4' energy: -157.726 flat angles C4'-P-C4' energy: -200.235 flat angles P-C4'-P energy: -133.102 tors. eta vs tors. theta energy: -240.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2755.608676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.608676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.608676 (E_RNA) where: Base-Base interactions energy: -1891.150 where: short stacking energy: -772.741 Base-Backbone interact. energy: -3.073 local terms energy: -861.385384 where: bonds (distance) C4'-P energy: -157.765 bonds (distance) P-C4' energy: -164.200 flat angles C4'-P-C4' energy: -183.170 flat angles P-C4'-P energy: -111.627 tors. eta vs tors. theta energy: -244.624 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: 380 Temperature: 1.100000 Total energy: -2367.707649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.707649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.707649 (E_RNA) where: Base-Base interactions energy: -1573.891 where: short stacking energy: -702.753 Base-Backbone interact. energy: -2.899 local terms energy: -790.917873 where: bonds (distance) C4'-P energy: -151.228 bonds (distance) P-C4' energy: -161.726 flat angles C4'-P-C4' energy: -175.341 flat angles P-C4'-P energy: -115.028 tors. eta vs tors. theta energy: -187.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2176.597952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.597952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.597952 (E_RNA) where: Base-Base interactions energy: -1399.626 where: short stacking energy: -593.980 Base-Backbone interact. energy: 2.319 local terms energy: -779.290845 where: bonds (distance) C4'-P energy: -177.867 bonds (distance) P-C4' energy: -152.437 flat angles C4'-P-C4' energy: -178.107 flat angles P-C4'-P energy: -119.543 tors. eta vs tors. theta energy: -151.337 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: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1681.601813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.601813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.601813 (E_RNA) where: Base-Base interactions energy: -1069.419 where: short stacking energy: -444.081 Base-Backbone interact. energy: 4.828 local terms energy: -617.010850 where: bonds (distance) C4'-P energy: -140.884 bonds (distance) P-C4' energy: -132.717 flat angles C4'-P-C4' energy: -166.255 flat angles P-C4'-P energy: -104.287 tors. eta vs tors. theta energy: -72.868 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: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1215.908331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.908331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.908331 (E_RNA) where: Base-Base interactions energy: -687.470 where: short stacking energy: -309.910 Base-Backbone interact. energy: -3.068 local terms energy: -525.370079 where: bonds (distance) C4'-P energy: -126.147 bonds (distance) P-C4' energy: -154.974 flat angles C4'-P-C4' energy: -137.086 flat angles P-C4'-P energy: -94.001 tors. eta vs tors. theta energy: -13.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -849.023998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.023998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.023998 (E_RNA) where: Base-Base interactions energy: -368.243 where: short stacking energy: -223.474 Base-Backbone interact. energy: 2.360 local terms energy: -483.140479 where: bonds (distance) C4'-P energy: -142.115 bonds (distance) P-C4' energy: -156.559 flat angles C4'-P-C4' energy: -136.844 flat angles P-C4'-P energy: -68.998 tors. eta vs tors. theta energy: 21.376 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: 5 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -657.662170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.662170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.662170 (E_RNA) where: Base-Base interactions energy: -218.037 where: short stacking energy: -168.241 Base-Backbone interact. energy: -3.877 local terms energy: -435.748451 where: bonds (distance) C4'-P energy: -148.984 bonds (distance) P-C4' energy: -144.723 flat angles C4'-P-C4' energy: -128.344 flat angles P-C4'-P energy: -50.955 tors. eta vs tors. theta energy: 37.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3104.155309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.155309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.155309 (E_RNA) where: Base-Base interactions energy: -2123.871 where: short stacking energy: -858.398 Base-Backbone interact. energy: -7.952 local terms energy: -972.332257 where: bonds (distance) C4'-P energy: -171.300 bonds (distance) P-C4' energy: -201.595 flat angles C4'-P-C4' energy: -206.704 flat angles P-C4'-P energy: -126.947 tors. eta vs tors. theta energy: -265.786 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: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2986.395655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.395655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.395655 (E_RNA) where: Base-Base interactions energy: -2034.455 where: short stacking energy: -846.669 Base-Backbone interact. energy: -3.628 local terms energy: -948.312762 where: bonds (distance) C4'-P energy: -178.137 bonds (distance) P-C4' energy: -165.801 flat angles C4'-P-C4' energy: -206.007 flat angles P-C4'-P energy: -139.720 tors. eta vs tors. theta energy: -258.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2813.607405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.607405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.607405 (E_RNA) where: Base-Base interactions energy: -1941.855 where: short stacking energy: -808.800 Base-Backbone interact. energy: -1.876 local terms energy: -869.876500 where: bonds (distance) C4'-P energy: -171.803 bonds (distance) P-C4' energy: -167.373 flat angles C4'-P-C4' energy: -170.656 flat angles P-C4'-P energy: -127.325 tors. eta vs tors. theta energy: -232.720 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: 381 Temperature: 1.050000 Total energy: -2717.366414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.366414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.366414 (E_RNA) where: Base-Base interactions energy: -1848.353 where: short stacking energy: -773.719 Base-Backbone interact. energy: 1.524 local terms energy: -870.537353 where: bonds (distance) C4'-P energy: -159.379 bonds (distance) P-C4' energy: -164.677 flat angles C4'-P-C4' energy: -189.729 flat angles P-C4'-P energy: -124.272 tors. eta vs tors. theta energy: -232.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2328.421672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.421672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.421672 (E_RNA) where: Base-Base interactions energy: -1505.629 where: short stacking energy: -670.794 Base-Backbone interact. energy: -1.721 local terms energy: -821.071058 where: bonds (distance) C4'-P energy: -164.823 bonds (distance) P-C4' energy: -175.619 flat angles C4'-P-C4' energy: -178.375 flat angles P-C4'-P energy: -125.155 tors. eta vs tors. theta energy: -177.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2195.472178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.472178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.472178 (E_RNA) where: Base-Base interactions energy: -1442.603 where: short stacking energy: -568.706 Base-Backbone interact. energy: 1.591 local terms energy: -754.459997 where: bonds (distance) C4'-P energy: -149.865 bonds (distance) P-C4' energy: -171.119 flat angles C4'-P-C4' energy: -160.406 flat angles P-C4'-P energy: -109.278 tors. eta vs tors. theta energy: -163.792 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: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1692.609291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.609291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.609291 (E_RNA) where: Base-Base interactions energy: -1022.775 where: short stacking energy: -445.613 Base-Backbone interact. energy: 3.162 local terms energy: -672.995850 where: bonds (distance) C4'-P energy: -158.990 bonds (distance) P-C4' energy: -154.580 flat angles C4'-P-C4' energy: -161.489 flat angles P-C4'-P energy: -102.037 tors. eta vs tors. theta energy: -95.900 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: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1204.002297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.002297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.002297 (E_RNA) where: Base-Base interactions energy: -661.021 where: short stacking energy: -348.983 Base-Backbone interact. energy: -2.275 local terms energy: -540.706300 where: bonds (distance) C4'-P energy: -149.530 bonds (distance) P-C4' energy: -162.080 flat angles C4'-P-C4' energy: -142.300 flat angles P-C4'-P energy: -68.347 tors. eta vs tors. theta energy: -18.450 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: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -788.802059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.802059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.802059 (E_RNA) where: Base-Base interactions energy: -295.766 where: short stacking energy: -200.357 Base-Backbone interact. energy: -0.423 local terms energy: -492.612947 where: bonds (distance) C4'-P energy: -160.024 bonds (distance) P-C4' energy: -150.790 flat angles C4'-P-C4' energy: -123.686 flat angles P-C4'-P energy: -85.233 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: 5 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -652.749409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.749409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.749409 (E_RNA) where: Base-Base interactions energy: -221.536 where: short stacking energy: -170.017 Base-Backbone interact. energy: 8.077 local terms energy: -439.290589 where: bonds (distance) C4'-P energy: -146.255 bonds (distance) P-C4' energy: -124.684 flat angles C4'-P-C4' energy: -124.146 flat angles P-C4'-P energy: -94.479 tors. eta vs tors. theta energy: 50.272 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: 7 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3098.478437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.478437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.478437 (E_RNA) where: Base-Base interactions energy: -2102.990 where: short stacking energy: -873.824 Base-Backbone interact. energy: -6.297 local terms energy: -989.191383 where: bonds (distance) C4'-P energy: -198.686 bonds (distance) P-C4' energy: -195.550 flat angles C4'-P-C4' energy: -205.707 flat angles P-C4'-P energy: -132.080 tors. eta vs tors. theta energy: -257.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2973.794189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.794189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.794189 (E_RNA) where: Base-Base interactions energy: -2056.006 where: short stacking energy: -839.544 Base-Backbone interact. energy: 0.585 local terms energy: -918.372695 where: bonds (distance) C4'-P energy: -172.953 bonds (distance) P-C4' energy: -163.770 flat angles C4'-P-C4' energy: -192.118 flat angles P-C4'-P energy: -124.568 tors. eta vs tors. theta energy: -264.964 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: 382 Temperature: 1.000000 Total energy: -2812.598113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.598113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.598113 (E_RNA) where: Base-Base interactions energy: -1897.114 where: short stacking energy: -774.418 Base-Backbone interact. energy: -1.172 local terms energy: -914.312576 where: bonds (distance) C4'-P energy: -161.297 bonds (distance) P-C4' energy: -175.904 flat angles C4'-P-C4' energy: -210.552 flat angles P-C4'-P energy: -121.022 tors. eta vs tors. theta energy: -245.538 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: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2710.992233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.992233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.992233 (E_RNA) where: Base-Base interactions energy: -1871.685 where: short stacking energy: -786.044 Base-Backbone interact. energy: 2.311 local terms energy: -841.618255 where: bonds (distance) C4'-P energy: -145.178 bonds (distance) P-C4' energy: -166.680 flat angles C4'-P-C4' energy: -199.297 flat angles P-C4'-P energy: -117.255 tors. eta vs tors. theta energy: -213.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2382.637451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.637451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.637451 (E_RNA) where: Base-Base interactions energy: -1569.854 where: short stacking energy: -667.397 Base-Backbone interact. energy: 1.236 local terms energy: -814.020207 where: bonds (distance) C4'-P energy: -179.527 bonds (distance) P-C4' energy: -156.449 flat angles C4'-P-C4' energy: -175.664 flat angles P-C4'-P energy: -111.429 tors. eta vs tors. theta energy: -190.951 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: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2219.469708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.469708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.469708 (E_RNA) where: Base-Base interactions energy: -1486.357 where: short stacking energy: -614.969 Base-Backbone interact. energy: -5.711 local terms energy: -727.401506 where: bonds (distance) C4'-P energy: -148.554 bonds (distance) P-C4' energy: -149.262 flat angles C4'-P-C4' energy: -152.567 flat angles P-C4'-P energy: -114.759 tors. eta vs tors. theta energy: -162.259 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: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1653.045047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.045047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.045047 (E_RNA) where: Base-Base interactions energy: -1004.740 where: short stacking energy: -455.417 Base-Backbone interact. energy: 0.979 local terms energy: -649.284667 where: bonds (distance) C4'-P energy: -145.021 bonds (distance) P-C4' energy: -159.821 flat angles C4'-P-C4' energy: -155.193 flat angles P-C4'-P energy: -103.753 tors. eta vs tors. theta energy: -85.497 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: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1098.833442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.833442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.833442 (E_RNA) where: Base-Base interactions energy: -562.310 where: short stacking energy: -263.291 Base-Backbone interact. energy: 3.765 local terms energy: -540.289024 where: bonds (distance) C4'-P energy: -148.263 bonds (distance) P-C4' energy: -173.522 flat angles C4'-P-C4' energy: -146.846 flat angles P-C4'-P energy: -75.402 tors. eta vs tors. theta energy: 3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -836.914553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.914553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.914553 (E_RNA) where: Base-Base interactions energy: -328.757 where: short stacking energy: -201.217 Base-Backbone interact. energy: 3.808 local terms energy: -511.965004 where: bonds (distance) C4'-P energy: -148.606 bonds (distance) P-C4' energy: -182.218 flat angles C4'-P-C4' energy: -135.576 flat angles P-C4'-P energy: -72.977 tors. eta vs tors. theta energy: 27.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -666.963193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.963193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.963193 (E_RNA) where: Base-Base interactions energy: -232.674 where: short stacking energy: -191.610 Base-Backbone interact. energy: 5.628 local terms energy: -439.917668 where: bonds (distance) C4'-P energy: -129.897 bonds (distance) P-C4' energy: -163.779 flat angles C4'-P-C4' energy: -116.518 flat angles P-C4'-P energy: -71.871 tors. eta vs tors. theta energy: 42.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3094.148295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.148295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.148295 (E_RNA) where: Base-Base interactions energy: -2107.023 where: short stacking energy: -898.405 Base-Backbone interact. energy: -8.415 local terms energy: -978.710142 where: bonds (distance) C4'-P energy: -177.976 bonds (distance) P-C4' energy: -175.665 flat angles C4'-P-C4' energy: -211.545 flat angles P-C4'-P energy: -147.081 tors. eta vs tors. theta energy: -266.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2934.861911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.861911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.861911 (E_RNA) where: Base-Base interactions energy: -1984.772 where: short stacking energy: -841.800 Base-Backbone interact. energy: -2.455 local terms energy: -947.634418 where: bonds (distance) C4'-P energy: -174.746 bonds (distance) P-C4' energy: -173.375 flat angles C4'-P-C4' energy: -206.087 flat angles P-C4'-P energy: -138.700 tors. eta vs tors. theta energy: -254.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2861.539771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.539771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.539771 (E_RNA) where: Base-Base interactions energy: -1936.810 where: short stacking energy: -799.663 Base-Backbone interact. energy: -7.501 local terms energy: -917.229201 where: bonds (distance) C4'-P energy: -170.502 bonds (distance) P-C4' energy: -181.822 flat angles C4'-P-C4' energy: -192.175 flat angles P-C4'-P energy: -133.821 tors. eta vs tors. theta energy: -238.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2686.569739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.569739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.569739 (E_RNA) where: Base-Base interactions energy: -1830.413 where: short stacking energy: -754.660 Base-Backbone interact. energy: -5.061 local terms energy: -851.095514 where: bonds (distance) C4'-P energy: -149.885 bonds (distance) P-C4' energy: -169.798 flat angles C4'-P-C4' energy: -186.349 flat angles P-C4'-P energy: -127.816 tors. eta vs tors. theta energy: -217.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2423.608405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.608405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.608405 (E_RNA) where: Base-Base interactions energy: -1597.649 where: short stacking energy: -693.796 Base-Backbone interact. energy: -4.747 local terms energy: -821.213078 where: bonds (distance) C4'-P energy: -165.039 bonds (distance) P-C4' energy: -165.556 flat angles C4'-P-C4' energy: -192.165 flat angles P-C4'-P energy: -106.912 tors. eta vs tors. theta energy: -191.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2208.938315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.938315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.938315 (E_RNA) where: Base-Base interactions energy: -1497.521 where: short stacking energy: -611.366 Base-Backbone interact. energy: -3.455 local terms energy: -707.962877 where: bonds (distance) C4'-P energy: -140.962 bonds (distance) P-C4' energy: -151.647 flat angles C4'-P-C4' energy: -177.147 flat angles P-C4'-P energy: -91.492 tors. eta vs tors. theta energy: -146.714 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: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1630.364407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.364407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.364407 (E_RNA) where: Base-Base interactions energy: -992.241 where: short stacking energy: -477.801 Base-Backbone interact. energy: -0.882 local terms energy: -637.240893 where: bonds (distance) C4'-P energy: -133.287 bonds (distance) P-C4' energy: -183.117 flat angles C4'-P-C4' energy: -153.381 flat angles P-C4'-P energy: -84.839 tors. eta vs tors. theta energy: -82.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1244.211515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.211515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.211515 (E_RNA) where: Base-Base interactions energy: -677.461 where: short stacking energy: -330.104 Base-Backbone interact. energy: -0.327 local terms energy: -566.422977 where: bonds (distance) C4'-P energy: -124.633 bonds (distance) P-C4' energy: -171.646 flat angles C4'-P-C4' energy: -157.231 flat angles P-C4'-P energy: -81.998 tors. eta vs tors. theta energy: -30.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -833.750812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.750812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.750812 (E_RNA) where: Base-Base interactions energy: -375.556 where: short stacking energy: -217.651 Base-Backbone interact. energy: -0.321 local terms energy: -457.873976 where: bonds (distance) C4'-P energy: -153.975 bonds (distance) P-C4' energy: -125.042 flat angles C4'-P-C4' energy: -149.566 flat angles P-C4'-P energy: -59.101 tors. eta vs tors. theta energy: 29.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -697.940993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.940993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.940993 (E_RNA) where: Base-Base interactions energy: -250.808 where: short stacking energy: -178.832 Base-Backbone interact. energy: 6.014 local terms energy: -453.147537 where: bonds (distance) C4'-P energy: -136.043 bonds (distance) P-C4' energy: -157.891 flat angles C4'-P-C4' energy: -115.747 flat angles P-C4'-P energy: -81.104 tors. eta vs tors. theta energy: 37.637 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: 1, replica: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3061.627270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.627270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.627270 (E_RNA) where: Base-Base interactions energy: -2085.730 where: short stacking energy: -895.040 Base-Backbone interact. energy: -6.448 local terms energy: -969.449106 where: bonds (distance) C4'-P energy: -184.347 bonds (distance) P-C4' energy: -183.790 flat angles C4'-P-C4' energy: -197.672 flat angles P-C4'-P energy: -141.243 tors. eta vs tors. theta energy: -262.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2931.644777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.644777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.644777 (E_RNA) where: Base-Base interactions energy: -1996.735 where: short stacking energy: -834.867 Base-Backbone interact. energy: -2.528 local terms energy: -932.381739 where: bonds (distance) C4'-P energy: -169.192 bonds (distance) P-C4' energy: -186.356 flat angles C4'-P-C4' energy: -188.466 flat angles P-C4'-P energy: -143.657 tors. eta vs tors. theta energy: -244.711 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: 6 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2821.701673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.701673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.701673 (E_RNA) where: Base-Base interactions energy: -1913.815 where: short stacking energy: -736.553 Base-Backbone interact. energy: -1.527 local terms energy: -906.359519 where: bonds (distance) C4'-P energy: -181.932 bonds (distance) P-C4' energy: -183.806 flat angles C4'-P-C4' energy: -194.432 flat angles P-C4'-P energy: -124.956 tors. eta vs tors. theta energy: -221.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2708.429214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.429214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.429214 (E_RNA) where: Base-Base interactions energy: -1855.138 where: short stacking energy: -787.152 Base-Backbone interact. energy: -6.504 local terms energy: -846.786650 where: bonds (distance) C4'-P energy: -147.676 bonds (distance) P-C4' energy: -175.577 flat angles C4'-P-C4' energy: -183.492 flat angles P-C4'-P energy: -116.226 tors. eta vs tors. theta energy: -223.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2379.518686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.518686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.518686 (E_RNA) where: Base-Base interactions energy: -1563.452 where: short stacking energy: -673.766 Base-Backbone interact. energy: 1.417 local terms energy: -817.482934 where: bonds (distance) C4'-P energy: -165.900 bonds (distance) P-C4' energy: -162.511 flat angles C4'-P-C4' energy: -185.127 flat angles P-C4'-P energy: -129.151 tors. eta vs tors. theta energy: -174.794 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: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2164.364711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.364711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.364711 (E_RNA) where: Base-Base interactions energy: -1390.747 where: short stacking energy: -582.533 Base-Backbone interact. energy: -3.276 local terms energy: -770.342091 where: bonds (distance) C4'-P energy: -168.381 bonds (distance) P-C4' energy: -172.162 flat angles C4'-P-C4' energy: -178.153 flat angles P-C4'-P energy: -110.830 tors. eta vs tors. theta energy: -140.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1640.638036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.638036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.638036 (E_RNA) where: Base-Base interactions energy: -1011.764 where: short stacking energy: -404.416 Base-Backbone interact. energy: 6.706 local terms energy: -635.579718 where: bonds (distance) C4'-P energy: -161.318 bonds (distance) P-C4' energy: -150.310 flat angles C4'-P-C4' energy: -151.645 flat angles P-C4'-P energy: -109.431 tors. eta vs tors. theta energy: -62.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1217.947625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.947625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.947625 (E_RNA) where: Base-Base interactions energy: -666.180 where: short stacking energy: -360.859 Base-Backbone interact. energy: 2.479 local terms energy: -554.246892 where: bonds (distance) C4'-P energy: -148.005 bonds (distance) P-C4' energy: -149.244 flat angles C4'-P-C4' energy: -131.093 flat angles P-C4'-P energy: -82.660 tors. eta vs tors. theta energy: -43.245 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: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -851.764149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.764149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.764149 (E_RNA) where: Base-Base interactions energy: -344.129 where: short stacking energy: -221.493 Base-Backbone interact. energy: 1.075 local terms energy: -508.710583 where: bonds (distance) C4'-P energy: -160.440 bonds (distance) P-C4' energy: -148.992 flat angles C4'-P-C4' energy: -131.379 flat angles P-C4'-P energy: -84.426 tors. eta vs tors. theta energy: 16.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -660.854212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.854212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.854212 (E_RNA) where: Base-Base interactions energy: -228.986 where: short stacking energy: -154.483 Base-Backbone interact. energy: 6.775 local terms energy: -438.643011 where: bonds (distance) C4'-P energy: -158.715 bonds (distance) P-C4' energy: -150.708 flat angles C4'-P-C4' energy: -136.196 flat angles P-C4'-P energy: -59.215 tors. eta vs tors. theta energy: 66.191 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: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3093.760150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.760150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.760150 (E_RNA) where: Base-Base interactions energy: -2098.413 where: short stacking energy: -877.987 Base-Backbone interact. energy: -2.424 local terms energy: -992.923519 where: bonds (distance) C4'-P energy: -172.536 bonds (distance) P-C4' energy: -189.891 flat angles C4'-P-C4' energy: -221.014 flat angles P-C4'-P energy: -146.849 tors. eta vs tors. theta energy: -262.633 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: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2961.424175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.424175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.424175 (E_RNA) where: Base-Base interactions energy: -2017.495 where: short stacking energy: -831.019 Base-Backbone interact. energy: -3.570 local terms energy: -940.359091 where: bonds (distance) C4'-P energy: -167.792 bonds (distance) P-C4' energy: -189.740 flat angles C4'-P-C4' energy: -203.569 flat angles P-C4'-P energy: -124.723 tors. eta vs tors. theta energy: -254.534 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: 6 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2822.215886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.215886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.215886 (E_RNA) where: Base-Base interactions energy: -1935.130 where: short stacking energy: -798.444 Base-Backbone interact. energy: 0.310 local terms energy: -887.396788 where: bonds (distance) C4'-P energy: -170.779 bonds (distance) P-C4' energy: -170.421 flat angles C4'-P-C4' energy: -187.100 flat angles P-C4'-P energy: -125.049 tors. eta vs tors. theta energy: -234.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2650.623616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.623616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.623616 (E_RNA) where: Base-Base interactions energy: -1823.878 where: short stacking energy: -742.853 Base-Backbone interact. energy: 0.684 local terms energy: -827.430157 where: bonds (distance) C4'-P energy: -159.423 bonds (distance) P-C4' energy: -165.560 flat angles C4'-P-C4' energy: -186.869 flat angles P-C4'-P energy: -111.292 tors. eta vs tors. theta energy: -204.287 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: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2411.771004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.771004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.771004 (E_RNA) where: Base-Base interactions energy: -1587.120 where: short stacking energy: -702.605 Base-Backbone interact. energy: 1.228 local terms energy: -825.879536 where: bonds (distance) C4'-P energy: -171.666 bonds (distance) P-C4' energy: -174.961 flat angles C4'-P-C4' energy: -172.894 flat angles P-C4'-P energy: -113.179 tors. eta vs tors. theta energy: -193.180 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: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2186.397787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.397787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.397787 (E_RNA) where: Base-Base interactions energy: -1431.752 where: short stacking energy: -627.491 Base-Backbone interact. energy: 0.432 local terms energy: -755.077818 where: bonds (distance) C4'-P energy: -129.690 bonds (distance) P-C4' energy: -161.171 flat angles C4'-P-C4' energy: -177.082 flat angles P-C4'-P energy: -115.580 tors. eta vs tors. theta energy: -171.555 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: 385 Temperature: 1.200000 Total energy: -1739.371036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.371036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.371036 (E_RNA) where: Base-Base interactions energy: -1095.726 where: short stacking energy: -492.733 Base-Backbone interact. energy: -0.674 local terms energy: -642.971268 where: bonds (distance) C4'-P energy: -130.993 bonds (distance) P-C4' energy: -179.303 flat angles C4'-P-C4' energy: -152.525 flat angles P-C4'-P energy: -92.624 tors. eta vs tors. theta energy: -87.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1267.427422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.427422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.427422 (E_RNA) where: Base-Base interactions energy: -685.287 where: short stacking energy: -387.112 Base-Backbone interact. energy: -3.273 local terms energy: -578.866866 where: bonds (distance) C4'-P energy: -130.460 bonds (distance) P-C4' energy: -152.209 flat angles C4'-P-C4' energy: -144.201 flat angles P-C4'-P energy: -84.498 tors. eta vs tors. theta energy: -67.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -851.583715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.583715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.583715 (E_RNA) where: Base-Base interactions energy: -379.058 where: short stacking energy: -216.565 Base-Backbone interact. energy: 2.564 local terms energy: -475.089534 where: bonds (distance) C4'-P energy: -156.452 bonds (distance) P-C4' energy: -154.361 flat angles C4'-P-C4' energy: -106.308 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: 18.042 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: 10, replica: 5 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -654.542224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.542224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.542224 (E_RNA) where: Base-Base interactions energy: -221.792 where: short stacking energy: -171.308 Base-Backbone interact. energy: -2.766 local terms energy: -429.984744 where: bonds (distance) C4'-P energy: -148.898 bonds (distance) P-C4' energy: -160.409 flat angles C4'-P-C4' energy: -106.036 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: 45.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3099.702786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.702786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.702786 (E_RNA) where: Base-Base interactions energy: -2110.027 where: short stacking energy: -884.659 Base-Backbone interact. energy: -2.556 local terms energy: -987.120288 where: bonds (distance) C4'-P energy: -186.433 bonds (distance) P-C4' energy: -184.992 flat angles C4'-P-C4' energy: -214.959 flat angles P-C4'-P energy: -140.064 tors. eta vs tors. theta energy: -260.671 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: 386 Temperature: 0.950000 Total energy: -2959.477969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.477969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.477969 (E_RNA) where: Base-Base interactions energy: -2018.827 where: short stacking energy: -831.920 Base-Backbone interact. energy: -3.764 local terms energy: -936.886725 where: bonds (distance) C4'-P energy: -162.795 bonds (distance) P-C4' energy: -181.716 flat angles C4'-P-C4' energy: -200.854 flat angles P-C4'-P energy: -138.434 tors. eta vs tors. theta energy: -253.087 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: 386 Temperature: 1.000000 Total energy: -2838.258820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.258820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.258820 (E_RNA) where: Base-Base interactions energy: -1951.501 where: short stacking energy: -776.405 Base-Backbone interact. energy: -2.476 local terms energy: -884.281768 where: bonds (distance) C4'-P energy: -154.932 bonds (distance) P-C4' energy: -188.538 flat angles C4'-P-C4' energy: -198.410 flat angles P-C4'-P energy: -109.994 tors. eta vs tors. theta energy: -232.409 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: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2717.318189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.318189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.318189 (E_RNA) where: Base-Base interactions energy: -1822.558 where: short stacking energy: -788.318 Base-Backbone interact. energy: -3.714 local terms energy: -891.046722 where: bonds (distance) C4'-P energy: -157.546 bonds (distance) P-C4' energy: -174.785 flat angles C4'-P-C4' energy: -199.694 flat angles P-C4'-P energy: -128.925 tors. eta vs tors. theta energy: -230.098 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: 386 Temperature: 1.100000 Total energy: -2422.297836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.297836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.297836 (E_RNA) where: Base-Base interactions energy: -1602.067 where: short stacking energy: -707.039 Base-Backbone interact. energy: -3.986 local terms energy: -816.244696 where: bonds (distance) C4'-P energy: -149.645 bonds (distance) P-C4' energy: -148.911 flat angles C4'-P-C4' energy: -188.391 flat angles P-C4'-P energy: -120.902 tors. eta vs tors. theta energy: -208.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2131.905538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.905538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.905538 (E_RNA) where: Base-Base interactions energy: -1386.991 where: short stacking energy: -574.773 Base-Backbone interact. energy: 3.893 local terms energy: -748.807287 where: bonds (distance) C4'-P energy: -148.945 bonds (distance) P-C4' energy: -177.055 flat angles C4'-P-C4' energy: -163.780 flat angles P-C4'-P energy: -110.255 tors. eta vs tors. theta energy: -148.772 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: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1790.303707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.303707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.303707 (E_RNA) where: Base-Base interactions energy: -1136.596 where: short stacking energy: -492.093 Base-Backbone interact. energy: 2.791 local terms energy: -656.498108 where: bonds (distance) C4'-P energy: -158.397 bonds (distance) P-C4' energy: -158.953 flat angles C4'-P-C4' energy: -154.283 flat angles P-C4'-P energy: -91.955 tors. eta vs tors. theta energy: -92.909 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: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1124.832512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.832512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.832512 (E_RNA) where: Base-Base interactions energy: -567.902 where: short stacking energy: -283.433 Base-Backbone interact. energy: -1.406 local terms energy: -555.524860 where: bonds (distance) C4'-P energy: -159.015 bonds (distance) P-C4' energy: -143.942 flat angles C4'-P-C4' energy: -152.206 flat angles P-C4'-P energy: -86.136 tors. eta vs tors. theta energy: -14.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -749.152842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.152842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.152842 (E_RNA) where: Base-Base interactions energy: -279.356 where: short stacking energy: -214.624 Base-Backbone interact. energy: 1.670 local terms energy: -471.467219 where: bonds (distance) C4'-P energy: -154.922 bonds (distance) P-C4' energy: -142.013 flat angles C4'-P-C4' energy: -123.201 flat angles P-C4'-P energy: -83.978 tors. eta vs tors. theta energy: 32.647 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: 10, replica: 5 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -635.210444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.210444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.210444 (E_RNA) where: Base-Base interactions energy: -218.325 where: short stacking energy: -168.858 Base-Backbone interact. energy: -0.841 local terms energy: -416.043603 where: bonds (distance) C4'-P energy: -129.364 bonds (distance) P-C4' energy: -133.131 flat angles C4'-P-C4' energy: -134.096 flat angles P-C4'-P energy: -62.200 tors. eta vs tors. theta energy: 42.748 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: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3095.944657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.944657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.944657 (E_RNA) where: Base-Base interactions energy: -2112.922 where: short stacking energy: -872.477 Base-Backbone interact. energy: -0.137 local terms energy: -982.885070 where: bonds (distance) C4'-P energy: -173.257 bonds (distance) P-C4' energy: -186.238 flat angles C4'-P-C4' energy: -202.321 flat angles P-C4'-P energy: -146.248 tors. eta vs tors. theta energy: -274.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2937.050719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.050719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.050719 (E_RNA) where: Base-Base interactions energy: -1998.513 where: short stacking energy: -819.235 Base-Backbone interact. energy: -4.592 local terms energy: -933.945604 where: bonds (distance) C4'-P energy: -190.571 bonds (distance) P-C4' energy: -184.995 flat angles C4'-P-C4' energy: -192.332 flat angles P-C4'-P energy: -129.123 tors. eta vs tors. theta energy: -236.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2804.187131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.187131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.187131 (E_RNA) where: Base-Base interactions energy: -1906.642 where: short stacking energy: -765.010 Base-Backbone interact. energy: -5.542 local terms energy: -892.002753 where: bonds (distance) C4'-P energy: -165.607 bonds (distance) P-C4' energy: -182.804 flat angles C4'-P-C4' energy: -186.680 flat angles P-C4'-P energy: -128.847 tors. eta vs tors. theta energy: -228.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2647.984098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.984098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.984098 (E_RNA) where: Base-Base interactions energy: -1796.312 where: short stacking energy: -767.097 Base-Backbone interact. energy: -2.038 local terms energy: -849.634180 where: bonds (distance) C4'-P energy: -137.885 bonds (distance) P-C4' energy: -165.665 flat angles C4'-P-C4' energy: -185.805 flat angles P-C4'-P energy: -132.793 tors. eta vs tors. theta energy: -227.487 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: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2380.390993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.390993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.390993 (E_RNA) where: Base-Base interactions energy: -1569.946 where: short stacking energy: -655.341 Base-Backbone interact. energy: -4.541 local terms energy: -805.903578 where: bonds (distance) C4'-P energy: -178.536 bonds (distance) P-C4' energy: -163.657 flat angles C4'-P-C4' energy: -177.423 flat angles P-C4'-P energy: -103.880 tors. eta vs tors. theta energy: -182.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2130.232684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.232684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.232684 (E_RNA) where: Base-Base interactions energy: -1390.860 where: short stacking energy: -618.482 Base-Backbone interact. energy: -0.604 local terms energy: -738.768614 where: bonds (distance) C4'-P energy: -136.269 bonds (distance) P-C4' energy: -167.737 flat angles C4'-P-C4' energy: -177.821 flat angles P-C4'-P energy: -108.130 tors. eta vs tors. theta energy: -148.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1786.298849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.298849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.298849 (E_RNA) where: Base-Base interactions energy: -1125.179 where: short stacking energy: -496.906 Base-Backbone interact. energy: 2.569 local terms energy: -663.688338 where: bonds (distance) C4'-P energy: -159.365 bonds (distance) P-C4' energy: -129.064 flat angles C4'-P-C4' energy: -153.563 flat angles P-C4'-P energy: -114.979 tors. eta vs tors. theta energy: -106.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1060.346937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.346937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.346937 (E_RNA) where: Base-Base interactions energy: -510.481 where: short stacking energy: -251.398 Base-Backbone interact. energy: -4.075 local terms energy: -545.791544 where: bonds (distance) C4'-P energy: -147.556 bonds (distance) P-C4' energy: -171.636 flat angles C4'-P-C4' energy: -140.709 flat angles P-C4'-P energy: -101.254 tors. eta vs tors. theta energy: 15.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -714.612481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.612481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.612481 (E_RNA) where: Base-Base interactions energy: -252.439 where: short stacking energy: -203.127 Base-Backbone interact. energy: 3.302 local terms energy: -465.474996 where: bonds (distance) C4'-P energy: -128.204 bonds (distance) P-C4' energy: -159.485 flat angles C4'-P-C4' energy: -115.615 flat angles P-C4'-P energy: -91.692 tors. eta vs tors. theta energy: 29.522 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: 5 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -617.770138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.770138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.770138 (E_RNA) where: Base-Base interactions energy: -210.689 where: short stacking energy: -161.858 Base-Backbone interact. energy: -2.081 local terms energy: -404.999489 where: bonds (distance) C4'-P energy: -157.271 bonds (distance) P-C4' energy: -141.205 flat angles C4'-P-C4' energy: -133.461 flat angles P-C4'-P energy: -45.181 tors. eta vs tors. theta energy: 72.119 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: 7 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3125.095810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.095810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.095810 (E_RNA) where: Base-Base interactions energy: -2153.073 where: short stacking energy: -892.581 Base-Backbone interact. energy: 2.971 local terms energy: -974.993614 where: bonds (distance) C4'-P energy: -173.621 bonds (distance) P-C4' energy: -182.950 flat angles C4'-P-C4' energy: -202.080 flat angles P-C4'-P energy: -142.498 tors. eta vs tors. theta energy: -273.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2963.326184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.326184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.326184 (E_RNA) where: Base-Base interactions energy: -2027.998 where: short stacking energy: -819.121 Base-Backbone interact. energy: 0.032 local terms energy: -935.359874 where: bonds (distance) C4'-P energy: -177.599 bonds (distance) P-C4' energy: -179.765 flat angles C4'-P-C4' energy: -193.760 flat angles P-C4'-P energy: -140.840 tors. eta vs tors. theta energy: -243.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2870.314642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.314642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.314642 (E_RNA) where: Base-Base interactions energy: -1960.488 where: short stacking energy: -845.288 Base-Backbone interact. energy: -1.147 local terms energy: -908.679001 where: bonds (distance) C4'-P energy: -171.343 bonds (distance) P-C4' energy: -154.750 flat angles C4'-P-C4' energy: -203.515 flat angles P-C4'-P energy: -131.433 tors. eta vs tors. theta energy: -247.638 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: 10 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2691.030376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.030376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.030376 (E_RNA) where: Base-Base interactions energy: -1795.465 where: short stacking energy: -797.798 Base-Backbone interact. energy: -2.941 local terms energy: -892.625121 where: bonds (distance) C4'-P energy: -184.510 bonds (distance) P-C4' energy: -163.318 flat angles C4'-P-C4' energy: -188.186 flat angles P-C4'-P energy: -126.581 tors. eta vs tors. theta energy: -230.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2363.103758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.103758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.103758 (E_RNA) where: Base-Base interactions energy: -1530.136 where: short stacking energy: -662.481 Base-Backbone interact. energy: -2.589 local terms energy: -830.378921 where: bonds (distance) C4'-P energy: -158.072 bonds (distance) P-C4' energy: -171.018 flat angles C4'-P-C4' energy: -187.630 flat angles P-C4'-P energy: -110.076 tors. eta vs tors. theta energy: -203.582 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: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2144.602324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.602324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.602324 (E_RNA) where: Base-Base interactions energy: -1377.145 where: short stacking energy: -580.782 Base-Backbone interact. energy: -0.485 local terms energy: -766.971997 where: bonds (distance) C4'-P energy: -168.579 bonds (distance) P-C4' energy: -169.625 flat angles C4'-P-C4' energy: -153.550 flat angles P-C4'-P energy: -100.607 tors. eta vs tors. theta energy: -174.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1777.190147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.190147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.190147 (E_RNA) where: Base-Base interactions energy: -1128.316 where: short stacking energy: -504.238 Base-Backbone interact. energy: 1.664 local terms energy: -650.538214 where: bonds (distance) C4'-P energy: -138.367 bonds (distance) P-C4' energy: -143.451 flat angles C4'-P-C4' energy: -162.109 flat angles P-C4'-P energy: -90.827 tors. eta vs tors. theta energy: -115.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1031.816075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.816075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.816075 (E_RNA) where: Base-Base interactions energy: -488.086 where: short stacking energy: -288.478 Base-Backbone interact. energy: 1.484 local terms energy: -545.213588 where: bonds (distance) C4'-P energy: -138.161 bonds (distance) P-C4' energy: -175.877 flat angles C4'-P-C4' energy: -151.499 flat angles P-C4'-P energy: -69.489 tors. eta vs tors. theta energy: -10.189 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: 5 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -741.365122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.365122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.365122 (E_RNA) where: Base-Base interactions energy: -266.149 where: short stacking energy: -206.459 Base-Backbone interact. energy: -0.853 local terms energy: -474.363747 where: bonds (distance) C4'-P energy: -145.447 bonds (distance) P-C4' energy: -136.486 flat angles C4'-P-C4' energy: -129.733 flat angles P-C4'-P energy: -88.324 tors. eta vs tors. theta energy: 25.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -703.576429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.576429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.576429 (E_RNA) where: Base-Base interactions energy: -252.401 where: short stacking energy: -152.463 Base-Backbone interact. energy: 1.806 local terms energy: -452.981538 where: bonds (distance) C4'-P energy: -124.151 bonds (distance) P-C4' energy: -160.577 flat angles C4'-P-C4' energy: -129.132 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: 44.932 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: 7 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3067.915539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.915539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.915539 (E_RNA) where: Base-Base interactions energy: -2091.873 where: short stacking energy: -886.936 Base-Backbone interact. energy: -6.268 local terms energy: -969.774471 where: bonds (distance) C4'-P energy: -174.022 bonds (distance) P-C4' energy: -195.747 flat angles C4'-P-C4' energy: -199.549 flat angles P-C4'-P energy: -128.519 tors. eta vs tors. theta energy: -271.937 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: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2959.499606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.499606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.499606 (E_RNA) where: Base-Base interactions energy: -2045.307 where: short stacking energy: -832.626 Base-Backbone interact. energy: -0.450 local terms energy: -913.742983 where: bonds (distance) C4'-P energy: -172.166 bonds (distance) P-C4' energy: -184.323 flat angles C4'-P-C4' energy: -187.349 flat angles P-C4'-P energy: -121.159 tors. eta vs tors. theta energy: -248.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2788.719080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.719080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.719080 (E_RNA) where: Base-Base interactions energy: -1857.309 where: short stacking energy: -772.714 Base-Backbone interact. energy: -4.819 local terms energy: -926.590448 where: bonds (distance) C4'-P energy: -174.938 bonds (distance) P-C4' energy: -193.511 flat angles C4'-P-C4' energy: -190.465 flat angles P-C4'-P energy: -127.424 tors. eta vs tors. theta energy: -240.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2706.975329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.975329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.975329 (E_RNA) where: Base-Base interactions energy: -1812.507 where: short stacking energy: -754.103 Base-Backbone interact. energy: 2.429 local terms energy: -896.896895 where: bonds (distance) C4'-P energy: -152.654 bonds (distance) P-C4' energy: -167.602 flat angles C4'-P-C4' energy: -210.374 flat angles P-C4'-P energy: -120.050 tors. eta vs tors. theta energy: -246.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2404.323111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.323111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.323111 (E_RNA) where: Base-Base interactions energy: -1571.452 where: short stacking energy: -693.489 Base-Backbone interact. energy: -0.171 local terms energy: -832.699189 where: bonds (distance) C4'-P energy: -169.100 bonds (distance) P-C4' energy: -176.983 flat angles C4'-P-C4' energy: -177.233 flat angles P-C4'-P energy: -113.570 tors. eta vs tors. theta energy: -195.813 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: 6, replica: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2147.972222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.972222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.972222 (E_RNA) where: Base-Base interactions energy: -1408.881 where: short stacking energy: -597.525 Base-Backbone interact. energy: 3.561 local terms energy: -742.653035 where: bonds (distance) C4'-P energy: -167.591 bonds (distance) P-C4' energy: -129.448 flat angles C4'-P-C4' energy: -154.496 flat angles P-C4'-P energy: -106.986 tors. eta vs tors. theta energy: -184.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1709.145275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.145275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.145275 (E_RNA) where: Base-Base interactions energy: -1072.680 where: short stacking energy: -464.701 Base-Backbone interact. energy: -6.381 local terms energy: -630.084503 where: bonds (distance) C4'-P energy: -144.308 bonds (distance) P-C4' energy: -141.710 flat angles C4'-P-C4' energy: -155.564 flat angles P-C4'-P energy: -92.965 tors. eta vs tors. theta energy: -95.538 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: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1041.338840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.338840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.338840 (E_RNA) where: Base-Base interactions energy: -525.275 where: short stacking energy: -285.621 Base-Backbone interact. energy: 0.646 local terms energy: -516.709905 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -158.418 flat angles C4'-P-C4' energy: -141.201 flat angles P-C4'-P energy: -74.846 tors. eta vs tors. theta energy: -13.483 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: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -718.249487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.249487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.249487 (E_RNA) where: Base-Base interactions energy: -255.389 where: short stacking energy: -223.027 Base-Backbone interact. energy: 2.548 local terms energy: -465.408702 where: bonds (distance) C4'-P energy: -164.980 bonds (distance) P-C4' energy: -137.836 flat angles C4'-P-C4' energy: -141.796 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: 47.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -730.924493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.924493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.924493 (E_RNA) where: Base-Base interactions energy: -297.381 where: short stacking energy: -175.636 Base-Backbone interact. energy: -3.208 local terms energy: -430.334787 where: bonds (distance) C4'-P energy: -150.315 bonds (distance) P-C4' energy: -154.150 flat angles C4'-P-C4' energy: -96.881 flat angles P-C4'-P energy: -65.530 tors. eta vs tors. theta energy: 36.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3090.518790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.518790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.518790 (E_RNA) where: Base-Base interactions energy: -2100.093 where: short stacking energy: -908.720 Base-Backbone interact. energy: -3.613 local terms energy: -986.812732 where: bonds (distance) C4'-P energy: -179.841 bonds (distance) P-C4' energy: -188.930 flat angles C4'-P-C4' energy: -207.964 flat angles P-C4'-P energy: -132.939 tors. eta vs tors. theta energy: -277.138 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: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2972.765992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.765992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.765992 (E_RNA) where: Base-Base interactions energy: -2031.089 where: short stacking energy: -839.775 Base-Backbone interact. energy: 3.097 local terms energy: -944.773461 where: bonds (distance) C4'-P energy: -174.512 bonds (distance) P-C4' energy: -171.284 flat angles C4'-P-C4' energy: -205.446 flat angles P-C4'-P energy: -128.912 tors. eta vs tors. theta energy: -264.620 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: 390 Temperature: 1.000000 Total energy: -2805.302018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.302018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.302018 (E_RNA) where: Base-Base interactions energy: -1909.729 where: short stacking energy: -779.668 Base-Backbone interact. energy: 1.617 local terms energy: -897.190217 where: bonds (distance) C4'-P energy: -166.935 bonds (distance) P-C4' energy: -171.542 flat angles C4'-P-C4' energy: -186.953 flat angles P-C4'-P energy: -132.639 tors. eta vs tors. theta energy: -239.122 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: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2706.039954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.039954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.039954 (E_RNA) where: Base-Base interactions energy: -1816.042 where: short stacking energy: -775.760 Base-Backbone interact. energy: -4.208 local terms energy: -885.790155 where: bonds (distance) C4'-P energy: -165.806 bonds (distance) P-C4' energy: -188.770 flat angles C4'-P-C4' energy: -178.412 flat angles P-C4'-P energy: -131.350 tors. eta vs tors. theta energy: -221.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2407.326633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.326633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.326633 (E_RNA) where: Base-Base interactions energy: -1592.346 where: short stacking energy: -700.845 Base-Backbone interact. energy: 3.946 local terms energy: -818.926366 where: bonds (distance) C4'-P energy: -166.890 bonds (distance) P-C4' energy: -173.248 flat angles C4'-P-C4' energy: -168.518 flat angles P-C4'-P energy: -119.148 tors. eta vs tors. theta energy: -191.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2170.186905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.186905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.186905 (E_RNA) where: Base-Base interactions energy: -1417.369 where: short stacking energy: -621.452 Base-Backbone interact. energy: -3.922 local terms energy: -748.896428 where: bonds (distance) C4'-P energy: -151.627 bonds (distance) P-C4' energy: -165.223 flat angles C4'-P-C4' energy: -157.054 flat angles P-C4'-P energy: -113.096 tors. eta vs tors. theta energy: -161.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1802.025471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.025471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.025471 (E_RNA) where: Base-Base interactions energy: -1149.119 where: short stacking energy: -481.465 Base-Backbone interact. energy: -2.026 local terms energy: -650.880063 where: bonds (distance) C4'-P energy: -159.842 bonds (distance) P-C4' energy: -151.818 flat angles C4'-P-C4' energy: -163.918 flat angles P-C4'-P energy: -83.321 tors. eta vs tors. theta energy: -91.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1054.772959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.772959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.772959 (E_RNA) where: Base-Base interactions energy: -505.031 where: short stacking energy: -284.397 Base-Backbone interact. energy: -5.827 local terms energy: -543.914443 where: bonds (distance) C4'-P energy: -161.242 bonds (distance) P-C4' energy: -158.735 flat angles C4'-P-C4' energy: -134.419 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -13.508 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: 390 Temperature: 1.300000 Total energy: -770.837493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.837493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.837493 (E_RNA) where: Base-Base interactions energy: -276.131 where: short stacking energy: -170.285 Base-Backbone interact. energy: 0.590 local terms energy: -495.296742 where: bonds (distance) C4'-P energy: -163.666 bonds (distance) P-C4' energy: -176.479 flat angles C4'-P-C4' energy: -104.401 flat angles P-C4'-P energy: -74.608 tors. eta vs tors. theta energy: 23.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -683.911969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.911969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.911969 (E_RNA) where: Base-Base interactions energy: -219.158 where: short stacking energy: -164.507 Base-Backbone interact. energy: 6.492 local terms energy: -471.246519 where: bonds (distance) C4'-P energy: -157.446 bonds (distance) P-C4' energy: -136.630 flat angles C4'-P-C4' energy: -115.990 flat angles P-C4'-P energy: -89.894 tors. eta vs tors. theta energy: 28.714 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: 7 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3100.153476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.153476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.153476 (E_RNA) where: Base-Base interactions energy: -2136.639 where: short stacking energy: -854.533 Base-Backbone interact. energy: -4.754 local terms energy: -958.760804 where: bonds (distance) C4'-P energy: -167.127 bonds (distance) P-C4' energy: -191.565 flat angles C4'-P-C4' energy: -207.544 flat angles P-C4'-P energy: -134.558 tors. eta vs tors. theta energy: -257.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2954.319598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.319598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.319598 (E_RNA) where: Base-Base interactions energy: -2022.082 where: short stacking energy: -845.866 Base-Backbone interact. energy: 5.568 local terms energy: -937.805708 where: bonds (distance) C4'-P energy: -166.512 bonds (distance) P-C4' energy: -174.674 flat angles C4'-P-C4' energy: -208.779 flat angles P-C4'-P energy: -130.486 tors. eta vs tors. theta energy: -257.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2849.011388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.011388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.011388 (E_RNA) where: Base-Base interactions energy: -1959.544 where: short stacking energy: -807.259 Base-Backbone interact. energy: -2.320 local terms energy: -887.146582 where: bonds (distance) C4'-P energy: -151.647 bonds (distance) P-C4' energy: -186.718 flat angles C4'-P-C4' energy: -181.459 flat angles P-C4'-P energy: -127.888 tors. eta vs tors. theta energy: -239.434 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: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2684.620584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.620584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.620584 (E_RNA) where: Base-Base interactions energy: -1854.526 where: short stacking energy: -747.684 Base-Backbone interact. energy: -5.102 local terms energy: -824.992381 where: bonds (distance) C4'-P energy: -121.669 bonds (distance) P-C4' energy: -170.251 flat angles C4'-P-C4' energy: -185.833 flat angles P-C4'-P energy: -134.539 tors. eta vs tors. theta energy: -212.699 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: 391 Temperature: 1.100000 Total energy: -2416.967165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.967165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.967165 (E_RNA) where: Base-Base interactions energy: -1602.370 where: short stacking energy: -694.597 Base-Backbone interact. energy: -2.252 local terms energy: -812.344901 where: bonds (distance) C4'-P energy: -157.844 bonds (distance) P-C4' energy: -151.380 flat angles C4'-P-C4' energy: -181.814 flat angles P-C4'-P energy: -111.636 tors. eta vs tors. theta energy: -209.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2137.148034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.148034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.148034 (E_RNA) where: Base-Base interactions energy: -1402.684 where: short stacking energy: -575.877 Base-Backbone interact. energy: -1.459 local terms energy: -733.005107 where: bonds (distance) C4'-P energy: -159.215 bonds (distance) P-C4' energy: -175.053 flat angles C4'-P-C4' energy: -183.612 flat angles P-C4'-P energy: -80.054 tors. eta vs tors. theta energy: -135.070 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: 391 Temperature: 1.200000 Total energy: -1810.358665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.358665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.358665 (E_RNA) where: Base-Base interactions energy: -1159.741 where: short stacking energy: -482.780 Base-Backbone interact. energy: 4.807 local terms energy: -655.424560 where: bonds (distance) C4'-P energy: -155.679 bonds (distance) P-C4' energy: -157.233 flat angles C4'-P-C4' energy: -147.371 flat angles P-C4'-P energy: -93.812 tors. eta vs tors. theta energy: -101.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1033.439467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.439467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.439467 (E_RNA) where: Base-Base interactions energy: -499.208 where: short stacking energy: -265.950 Base-Backbone interact. energy: -1.716 local terms energy: -532.515457 where: bonds (distance) C4'-P energy: -170.514 bonds (distance) P-C4' energy: -135.705 flat angles C4'-P-C4' energy: -144.488 flat angles P-C4'-P energy: -75.346 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -771.873986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.873986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.873986 (E_RNA) where: Base-Base interactions energy: -254.713 where: short stacking energy: -190.829 Base-Backbone interact. energy: -0.772 local terms energy: -516.389207 where: bonds (distance) C4'-P energy: -148.220 bonds (distance) P-C4' energy: -165.964 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -85.863 tors. eta vs tors. theta energy: 34.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -683.456220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.456220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.456220 (E_RNA) where: Base-Base interactions energy: -249.880 where: short stacking energy: -178.466 Base-Backbone interact. energy: -0.180 local terms energy: -433.397055 where: bonds (distance) C4'-P energy: -123.660 bonds (distance) P-C4' energy: -150.675 flat angles C4'-P-C4' energy: -115.212 flat angles P-C4'-P energy: -88.881 tors. eta vs tors. theta energy: 45.030 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: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3104.274522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.274522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.274522 (E_RNA) where: Base-Base interactions energy: -2163.532 where: short stacking energy: -906.353 Base-Backbone interact. energy: -1.929 local terms energy: -938.813563 where: bonds (distance) C4'-P energy: -170.664 bonds (distance) P-C4' energy: -171.966 flat angles C4'-P-C4' energy: -197.712 flat angles P-C4'-P energy: -132.544 tors. eta vs tors. theta energy: -265.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2966.195593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.195593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.195593 (E_RNA) where: Base-Base interactions energy: -2036.670 where: short stacking energy: -831.738 Base-Backbone interact. energy: -6.075 local terms energy: -923.451344 where: bonds (distance) C4'-P energy: -174.075 bonds (distance) P-C4' energy: -175.300 flat angles C4'-P-C4' energy: -202.281 flat angles P-C4'-P energy: -125.471 tors. eta vs tors. theta energy: -246.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2795.184372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.184372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.184372 (E_RNA) where: Base-Base interactions energy: -1910.661 where: short stacking energy: -775.983 Base-Backbone interact. energy: -3.053 local terms energy: -881.470777 where: bonds (distance) C4'-P energy: -160.507 bonds (distance) P-C4' energy: -176.895 flat angles C4'-P-C4' energy: -199.976 flat angles P-C4'-P energy: -123.935 tors. eta vs tors. theta energy: -220.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2652.281100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.281100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.281100 (E_RNA) where: Base-Base interactions energy: -1803.834 where: short stacking energy: -758.181 Base-Backbone interact. energy: -2.728 local terms energy: -845.719480 where: bonds (distance) C4'-P energy: -148.706 bonds (distance) P-C4' energy: -172.355 flat angles C4'-P-C4' energy: -187.333 flat angles P-C4'-P energy: -116.049 tors. eta vs tors. theta energy: -221.276 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: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2410.919451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.919451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.919451 (E_RNA) where: Base-Base interactions energy: -1547.904 where: short stacking energy: -692.966 Base-Backbone interact. energy: -1.477 local terms energy: -861.538826 where: bonds (distance) C4'-P energy: -164.006 bonds (distance) P-C4' energy: -169.731 flat angles C4'-P-C4' energy: -193.678 flat angles P-C4'-P energy: -126.969 tors. eta vs tors. theta energy: -207.154 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: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2173.650920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.650920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.650920 (E_RNA) where: Base-Base interactions energy: -1400.523 where: short stacking energy: -607.198 Base-Backbone interact. energy: -0.923 local terms energy: -772.204461 where: bonds (distance) C4'-P energy: -168.779 bonds (distance) P-C4' energy: -145.478 flat angles C4'-P-C4' energy: -160.248 flat angles P-C4'-P energy: -119.209 tors. eta vs tors. theta energy: -178.490 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: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1775.447321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.447321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.447321 (E_RNA) where: Base-Base interactions energy: -1116.553 where: short stacking energy: -492.754 Base-Backbone interact. energy: 0.690 local terms energy: -659.584273 where: bonds (distance) C4'-P energy: -162.116 bonds (distance) P-C4' energy: -155.847 flat angles C4'-P-C4' energy: -146.745 flat angles P-C4'-P energy: -91.498 tors. eta vs tors. theta energy: -103.377 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: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1029.598683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.598683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.598683 (E_RNA) where: Base-Base interactions energy: -507.182 where: short stacking energy: -278.672 Base-Backbone interact. energy: -3.665 local terms energy: -518.751774 where: bonds (distance) C4'-P energy: -140.485 bonds (distance) P-C4' energy: -155.498 flat angles C4'-P-C4' energy: -141.351 flat angles P-C4'-P energy: -88.144 tors. eta vs tors. theta energy: 6.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -776.332318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.332318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.332318 (E_RNA) where: Base-Base interactions energy: -337.264 where: short stacking energy: -219.618 Base-Backbone interact. energy: -1.767 local terms energy: -437.301343 where: bonds (distance) C4'-P energy: -139.527 bonds (distance) P-C4' energy: -144.445 flat angles C4'-P-C4' energy: -126.467 flat angles P-C4'-P energy: -64.590 tors. eta vs tors. theta energy: 37.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -674.548650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.548650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.548650 (E_RNA) where: Base-Base interactions energy: -274.323 where: short stacking energy: -181.821 Base-Backbone interact. energy: 2.375 local terms energy: -402.601549 where: bonds (distance) C4'-P energy: -149.709 bonds (distance) P-C4' energy: -148.767 flat angles C4'-P-C4' energy: -103.100 flat angles P-C4'-P energy: -42.732 tors. eta vs tors. theta energy: 41.706 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: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3073.620129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.620129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.620129 (E_RNA) where: Base-Base interactions energy: -2127.868 where: short stacking energy: -875.674 Base-Backbone interact. energy: -3.882 local terms energy: -941.870069 where: bonds (distance) C4'-P energy: -164.314 bonds (distance) P-C4' energy: -182.292 flat angles C4'-P-C4' energy: -202.252 flat angles P-C4'-P energy: -134.608 tors. eta vs tors. theta energy: -258.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2945.107096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.107096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.107096 (E_RNA) where: Base-Base interactions energy: -2022.092 where: short stacking energy: -853.536 Base-Backbone interact. energy: 1.870 local terms energy: -924.885651 where: bonds (distance) C4'-P energy: -175.064 bonds (distance) P-C4' energy: -170.943 flat angles C4'-P-C4' energy: -196.819 flat angles P-C4'-P energy: -120.192 tors. eta vs tors. theta energy: -261.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2821.757594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.757594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.757594 (E_RNA) where: Base-Base interactions energy: -1931.487 where: short stacking energy: -778.463 Base-Backbone interact. energy: -0.231 local terms energy: -890.039524 where: bonds (distance) C4'-P energy: -172.016 bonds (distance) P-C4' energy: -174.679 flat angles C4'-P-C4' energy: -195.223 flat angles P-C4'-P energy: -131.711 tors. eta vs tors. theta energy: -216.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2722.464866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.464866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.464866 (E_RNA) where: Base-Base interactions energy: -1856.058 where: short stacking energy: -794.935 Base-Backbone interact. energy: -3.920 local terms energy: -862.486827 where: bonds (distance) C4'-P energy: -151.882 bonds (distance) P-C4' energy: -159.988 flat angles C4'-P-C4' energy: -205.210 flat angles P-C4'-P energy: -116.167 tors. eta vs tors. theta energy: -229.240 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: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2373.877593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.877593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.877593 (E_RNA) where: Base-Base interactions energy: -1548.055 where: short stacking energy: -699.136 Base-Backbone interact. energy: 0.062 local terms energy: -825.885499 where: bonds (distance) C4'-P energy: -147.669 bonds (distance) P-C4' energy: -165.927 flat angles C4'-P-C4' energy: -181.466 flat angles P-C4'-P energy: -132.267 tors. eta vs tors. theta energy: -198.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2160.864617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.864617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.864617 (E_RNA) where: Base-Base interactions energy: -1422.581 where: short stacking energy: -624.930 Base-Backbone interact. energy: 0.561 local terms energy: -738.844618 where: bonds (distance) C4'-P energy: -124.868 bonds (distance) P-C4' energy: -168.457 flat angles C4'-P-C4' energy: -174.075 flat angles P-C4'-P energy: -105.504 tors. eta vs tors. theta energy: -165.941 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: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1681.745539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.745539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.745539 (E_RNA) where: Base-Base interactions energy: -1044.841 where: short stacking energy: -455.719 Base-Backbone interact. energy: -2.060 local terms energy: -634.845100 where: bonds (distance) C4'-P energy: -146.124 bonds (distance) P-C4' energy: -135.234 flat angles C4'-P-C4' energy: -168.372 flat angles P-C4'-P energy: -95.626 tors. eta vs tors. theta energy: -89.488 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: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1061.964545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.964545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.964545 (E_RNA) where: Base-Base interactions energy: -521.919 where: short stacking energy: -275.606 Base-Backbone interact. energy: 3.500 local terms energy: -543.546366 where: bonds (distance) C4'-P energy: -154.054 bonds (distance) P-C4' energy: -141.270 flat angles C4'-P-C4' energy: -161.819 flat angles P-C4'-P energy: -79.509 tors. eta vs tors. theta energy: -6.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -711.232824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.232824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.232824 (E_RNA) where: Base-Base interactions energy: -234.709 where: short stacking energy: -176.804 Base-Backbone interact. energy: 3.324 local terms energy: -479.848442 where: bonds (distance) C4'-P energy: -153.154 bonds (distance) P-C4' energy: -149.500 flat angles C4'-P-C4' energy: -136.822 flat angles P-C4'-P energy: -83.110 tors. eta vs tors. theta energy: 42.738 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: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -667.412395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.412395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.412395 (E_RNA) where: Base-Base interactions energy: -203.282 where: short stacking energy: -156.698 Base-Backbone interact. energy: 1.671 local terms energy: -465.801143 where: bonds (distance) C4'-P energy: -133.135 bonds (distance) P-C4' energy: -157.800 flat angles C4'-P-C4' energy: -133.168 flat angles P-C4'-P energy: -84.324 tors. eta vs tors. theta energy: 42.626 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: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3115.046169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.046169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.046169 (E_RNA) where: Base-Base interactions energy: -2154.997 where: short stacking energy: -882.147 Base-Backbone interact. energy: -4.972 local terms energy: -955.077274 where: bonds (distance) C4'-P energy: -161.632 bonds (distance) P-C4' energy: -175.424 flat angles C4'-P-C4' energy: -208.959 flat angles P-C4'-P energy: -148.168 tors. eta vs tors. theta energy: -260.895 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: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2994.395027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.395027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.395027 (E_RNA) where: Base-Base interactions energy: -2042.029 where: short stacking energy: -862.411 Base-Backbone interact. energy: -4.163 local terms energy: -948.203482 where: bonds (distance) C4'-P energy: -180.069 bonds (distance) P-C4' energy: -172.977 flat angles C4'-P-C4' energy: -204.839 flat angles P-C4'-P energy: -129.596 tors. eta vs tors. theta energy: -260.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2782.314823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.314823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.314823 (E_RNA) where: Base-Base interactions energy: -1936.842 where: short stacking energy: -752.962 Base-Backbone interact. energy: -10.016 local terms energy: -835.456769 where: bonds (distance) C4'-P energy: -162.378 bonds (distance) P-C4' energy: -141.463 flat angles C4'-P-C4' energy: -190.592 flat angles P-C4'-P energy: -128.768 tors. eta vs tors. theta energy: -212.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2695.587184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.587184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.587184 (E_RNA) where: Base-Base interactions energy: -1834.010 where: short stacking energy: -780.032 Base-Backbone interact. energy: -0.380 local terms energy: -861.197567 where: bonds (distance) C4'-P energy: -163.379 bonds (distance) P-C4' energy: -178.839 flat angles C4'-P-C4' energy: -184.404 flat angles P-C4'-P energy: -121.678 tors. eta vs tors. theta energy: -212.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2411.548748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.548748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.548748 (E_RNA) where: Base-Base interactions energy: -1586.263 where: short stacking energy: -691.588 Base-Backbone interact. energy: 2.436 local terms energy: -827.721554 where: bonds (distance) C4'-P energy: -175.254 bonds (distance) P-C4' energy: -154.846 flat angles C4'-P-C4' energy: -182.843 flat angles P-C4'-P energy: -125.115 tors. eta vs tors. theta energy: -189.662 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: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2171.144619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.144619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.144619 (E_RNA) where: Base-Base interactions energy: -1397.522 where: short stacking energy: -593.296 Base-Backbone interact. energy: -4.484 local terms energy: -769.138568 where: bonds (distance) C4'-P energy: -157.781 bonds (distance) P-C4' energy: -147.189 flat angles C4'-P-C4' energy: -187.638 flat angles P-C4'-P energy: -109.947 tors. eta vs tors. theta energy: -166.583 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: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1727.902634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.902634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.902634 (E_RNA) where: Base-Base interactions energy: -1074.454 where: short stacking energy: -492.650 Base-Backbone interact. energy: -0.397 local terms energy: -653.051419 where: bonds (distance) C4'-P energy: -140.620 bonds (distance) P-C4' energy: -156.287 flat angles C4'-P-C4' energy: -137.881 flat angles P-C4'-P energy: -124.418 tors. eta vs tors. theta energy: -93.846 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: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1136.920398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.920398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.920398 (E_RNA) where: Base-Base interactions energy: -572.450 where: short stacking energy: -319.544 Base-Backbone interact. energy: -2.438 local terms energy: -562.032664 where: bonds (distance) C4'-P energy: -155.973 bonds (distance) P-C4' energy: -169.896 flat angles C4'-P-C4' energy: -139.060 flat angles P-C4'-P energy: -77.561 tors. eta vs tors. theta energy: -19.543 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: 5 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -848.716833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.716833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.716833 (E_RNA) where: Base-Base interactions energy: -348.681 where: short stacking energy: -232.162 Base-Backbone interact. energy: 2.770 local terms energy: -502.805643 where: bonds (distance) C4'-P energy: -143.648 bonds (distance) P-C4' energy: -158.603 flat angles C4'-P-C4' energy: -149.722 flat angles P-C4'-P energy: -58.785 tors. eta vs tors. theta energy: 7.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -636.257874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.257874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.257874 (E_RNA) where: Base-Base interactions energy: -211.503 where: short stacking energy: -142.111 Base-Backbone interact. energy: 7.398 local terms energy: -432.153276 where: bonds (distance) C4'-P energy: -140.740 bonds (distance) P-C4' energy: -153.425 flat angles C4'-P-C4' energy: -143.286 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: 56.818 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: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3109.774365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.774365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.774365 (E_RNA) where: Base-Base interactions energy: -2175.721 where: short stacking energy: -896.690 Base-Backbone interact. energy: -1.454 local terms energy: -932.599264 where: bonds (distance) C4'-P energy: -176.808 bonds (distance) P-C4' energy: -168.175 flat angles C4'-P-C4' energy: -191.837 flat angles P-C4'-P energy: -138.957 tors. eta vs tors. theta energy: -256.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2945.943890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.943890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.943890 (E_RNA) where: Base-Base interactions energy: -2020.013 where: short stacking energy: -830.827 Base-Backbone interact. energy: 2.986 local terms energy: -928.916798 where: bonds (distance) C4'-P energy: -168.588 bonds (distance) P-C4' energy: -175.715 flat angles C4'-P-C4' energy: -199.354 flat angles P-C4'-P energy: -133.342 tors. eta vs tors. theta energy: -251.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2790.728986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.728986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.728986 (E_RNA) where: Base-Base interactions energy: -1921.925 where: short stacking energy: -764.707 Base-Backbone interact. energy: -3.477 local terms energy: -865.326944 where: bonds (distance) C4'-P energy: -169.229 bonds (distance) P-C4' energy: -182.022 flat angles C4'-P-C4' energy: -190.414 flat angles P-C4'-P energy: -117.390 tors. eta vs tors. theta energy: -206.272 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: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2664.946028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.946028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.946028 (E_RNA) where: Base-Base interactions energy: -1784.697 where: short stacking energy: -737.394 Base-Backbone interact. energy: -2.950 local terms energy: -877.298496 where: bonds (distance) C4'-P energy: -178.729 bonds (distance) P-C4' energy: -168.353 flat angles C4'-P-C4' energy: -191.986 flat angles P-C4'-P energy: -120.190 tors. eta vs tors. theta energy: -218.040 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: 2 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2380.216009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.216009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.216009 (E_RNA) where: Base-Base interactions energy: -1596.100 where: short stacking energy: -681.628 Base-Backbone interact. energy: 2.637 local terms energy: -786.753212 where: bonds (distance) C4'-P energy: -170.208 bonds (distance) P-C4' energy: -155.428 flat angles C4'-P-C4' energy: -177.161 flat angles P-C4'-P energy: -105.633 tors. eta vs tors. theta energy: -178.324 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: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2123.223782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.223782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.223782 (E_RNA) where: Base-Base interactions energy: -1393.631 where: short stacking energy: -581.309 Base-Backbone interact. energy: 3.288 local terms energy: -732.881666 where: bonds (distance) C4'-P energy: -156.989 bonds (distance) P-C4' energy: -174.125 flat angles C4'-P-C4' energy: -168.637 flat angles P-C4'-P energy: -96.276 tors. eta vs tors. theta energy: -136.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1725.002665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.002665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.002665 (E_RNA) where: Base-Base interactions energy: -1084.459 where: short stacking energy: -441.177 Base-Backbone interact. energy: -4.030 local terms energy: -636.513460 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -151.583 flat angles C4'-P-C4' energy: -175.186 flat angles P-C4'-P energy: -103.108 tors. eta vs tors. theta energy: -95.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1098.602090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.602090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.602090 (E_RNA) where: Base-Base interactions energy: -536.863 where: short stacking energy: -321.461 Base-Backbone interact. energy: -1.196 local terms energy: -560.543291 where: bonds (distance) C4'-P energy: -158.873 bonds (distance) P-C4' energy: -157.361 flat angles C4'-P-C4' energy: -144.876 flat angles P-C4'-P energy: -82.455 tors. eta vs tors. theta energy: -16.979 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: 9, replica: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -749.782081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.782081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.782081 (E_RNA) where: Base-Base interactions energy: -269.387 where: short stacking energy: -205.045 Base-Backbone interact. energy: 1.858 local terms energy: -482.253059 where: bonds (distance) C4'-P energy: -143.059 bonds (distance) P-C4' energy: -162.699 flat angles C4'-P-C4' energy: -128.333 flat angles P-C4'-P energy: -73.923 tors. eta vs tors. theta energy: 25.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -646.646813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.646813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.646813 (E_RNA) where: Base-Base interactions energy: -184.687 where: short stacking energy: -163.360 Base-Backbone interact. energy: -4.667 local terms energy: -457.292677 where: bonds (distance) C4'-P energy: -142.207 bonds (distance) P-C4' energy: -140.674 flat angles C4'-P-C4' energy: -134.761 flat angles P-C4'-P energy: -67.510 tors. eta vs tors. theta energy: 27.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3103.541828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.541828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.541828 (E_RNA) where: Base-Base interactions energy: -2122.322 where: short stacking energy: -880.371 Base-Backbone interact. energy: -6.110 local terms energy: -975.110039 where: bonds (distance) C4'-P energy: -175.272 bonds (distance) P-C4' energy: -193.733 flat angles C4'-P-C4' energy: -203.536 flat angles P-C4'-P energy: -134.037 tors. eta vs tors. theta energy: -268.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2916.141673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.141673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.141673 (E_RNA) where: Base-Base interactions energy: -1968.738 where: short stacking energy: -833.167 Base-Backbone interact. energy: 2.451 local terms energy: -949.854617 where: bonds (distance) C4'-P energy: -173.842 bonds (distance) P-C4' energy: -189.982 flat angles C4'-P-C4' energy: -197.157 flat angles P-C4'-P energy: -131.779 tors. eta vs tors. theta energy: -257.094 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: 6 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2801.210226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.210226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.210226 (E_RNA) where: Base-Base interactions energy: -1932.825 where: short stacking energy: -779.828 Base-Backbone interact. energy: -1.386 local terms energy: -866.999546 where: bonds (distance) C4'-P energy: -174.941 bonds (distance) P-C4' energy: -169.381 flat angles C4'-P-C4' energy: -184.544 flat angles P-C4'-P energy: -123.730 tors. eta vs tors. theta energy: -214.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2697.682191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.682191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.682191 (E_RNA) where: Base-Base interactions energy: -1841.056 where: short stacking energy: -800.344 Base-Backbone interact. energy: -1.087 local terms energy: -855.539991 where: bonds (distance) C4'-P energy: -130.371 bonds (distance) P-C4' energy: -181.238 flat angles C4'-P-C4' energy: -197.973 flat angles P-C4'-P energy: -122.308 tors. eta vs tors. theta energy: -223.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2414.416512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.416512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.416512 (E_RNA) where: Base-Base interactions energy: -1588.394 where: short stacking energy: -693.866 Base-Backbone interact. energy: -1.625 local terms energy: -824.397349 where: bonds (distance) C4'-P energy: -144.449 bonds (distance) P-C4' energy: -162.927 flat angles C4'-P-C4' energy: -183.672 flat angles P-C4'-P energy: -117.149 tors. eta vs tors. theta energy: -216.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2117.888594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.888594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.888594 (E_RNA) where: Base-Base interactions energy: -1394.331 where: short stacking energy: -613.357 Base-Backbone interact. energy: 7.083 local terms energy: -730.640683 where: bonds (distance) C4'-P energy: -157.211 bonds (distance) P-C4' energy: -142.193 flat angles C4'-P-C4' energy: -178.415 flat angles P-C4'-P energy: -104.337 tors. eta vs tors. theta energy: -148.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1718.526414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.526414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.526414 (E_RNA) where: Base-Base interactions energy: -1078.281 where: short stacking energy: -462.081 Base-Backbone interact. energy: 2.103 local terms energy: -642.348235 where: bonds (distance) C4'-P energy: -151.987 bonds (distance) P-C4' energy: -165.118 flat angles C4'-P-C4' energy: -156.922 flat angles P-C4'-P energy: -69.641 tors. eta vs tors. theta energy: -98.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1125.049795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.049795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.049795 (E_RNA) where: Base-Base interactions energy: -621.364 where: short stacking energy: -323.748 Base-Backbone interact. energy: -1.210 local terms energy: -502.475367 where: bonds (distance) C4'-P energy: -130.136 bonds (distance) P-C4' energy: -137.160 flat angles C4'-P-C4' energy: -137.234 flat angles P-C4'-P energy: -80.579 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -799.868111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.868111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.868111 (E_RNA) where: Base-Base interactions energy: -295.023 where: short stacking energy: -198.823 Base-Backbone interact. energy: 0.345 local terms energy: -505.190566 where: bonds (distance) C4'-P energy: -147.777 bonds (distance) P-C4' energy: -150.139 flat angles C4'-P-C4' energy: -133.992 flat angles P-C4'-P energy: -67.803 tors. eta vs tors. theta energy: -5.480 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: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -667.301830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.301830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.301830 (E_RNA) where: Base-Base interactions energy: -267.630 where: short stacking energy: -192.555 Base-Backbone interact. energy: 4.190 local terms energy: -403.861161 where: bonds (distance) C4'-P energy: -147.924 bonds (distance) P-C4' energy: -133.982 flat angles C4'-P-C4' energy: -125.919 flat angles P-C4'-P energy: -59.697 tors. eta vs tors. theta energy: 63.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3151.881084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.881084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.881084 (E_RNA) where: Base-Base interactions energy: -2152.387 where: short stacking energy: -887.917 Base-Backbone interact. energy: -2.090 local terms energy: -997.404175 where: bonds (distance) C4'-P energy: -187.279 bonds (distance) P-C4' energy: -169.582 flat angles C4'-P-C4' energy: -213.050 flat angles P-C4'-P energy: -157.328 tors. eta vs tors. theta energy: -270.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2962.870500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.870500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.870500 (E_RNA) where: Base-Base interactions energy: -2018.963 where: short stacking energy: -841.233 Base-Backbone interact. energy: -4.422 local terms energy: -939.485109 where: bonds (distance) C4'-P energy: -157.065 bonds (distance) P-C4' energy: -189.813 flat angles C4'-P-C4' energy: -193.301 flat angles P-C4'-P energy: -144.395 tors. eta vs tors. theta energy: -254.911 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: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2813.858219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.858219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.858219 (E_RNA) where: Base-Base interactions energy: -1915.003 where: short stacking energy: -799.371 Base-Backbone interact. energy: -0.713 local terms energy: -898.141622 where: bonds (distance) C4'-P energy: -178.717 bonds (distance) P-C4' energy: -159.062 flat angles C4'-P-C4' energy: -194.352 flat angles P-C4'-P energy: -123.925 tors. eta vs tors. theta energy: -242.086 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: 4, replica: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2712.565196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.565196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.565196 (E_RNA) where: Base-Base interactions energy: -1827.552 where: short stacking energy: -757.254 Base-Backbone interact. energy: -1.984 local terms energy: -883.029487 where: bonds (distance) C4'-P energy: -170.826 bonds (distance) P-C4' energy: -185.745 flat angles C4'-P-C4' energy: -187.332 flat angles P-C4'-P energy: -124.579 tors. eta vs tors. theta energy: -214.547 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: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2445.198867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.198867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.198867 (E_RNA) where: Base-Base interactions energy: -1599.163 where: short stacking energy: -691.819 Base-Backbone interact. energy: -2.439 local terms energy: -843.596638 where: bonds (distance) C4'-P energy: -167.476 bonds (distance) P-C4' energy: -179.461 flat angles C4'-P-C4' energy: -176.893 flat angles P-C4'-P energy: -108.217 tors. eta vs tors. theta energy: -211.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2170.791599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.791599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.791599 (E_RNA) where: Base-Base interactions energy: -1413.229 where: short stacking energy: -583.861 Base-Backbone interact. energy: 1.658 local terms energy: -759.220581 where: bonds (distance) C4'-P energy: -160.356 bonds (distance) P-C4' energy: -155.478 flat angles C4'-P-C4' energy: -171.911 flat angles P-C4'-P energy: -111.115 tors. eta vs tors. theta energy: -160.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1654.740916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.740916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.740916 (E_RNA) where: Base-Base interactions energy: -1002.523 where: short stacking energy: -481.520 Base-Backbone interact. energy: -3.979 local terms energy: -648.238049 where: bonds (distance) C4'-P energy: -142.806 bonds (distance) P-C4' energy: -148.677 flat angles C4'-P-C4' energy: -167.562 flat angles P-C4'-P energy: -90.152 tors. eta vs tors. theta energy: -99.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1206.597173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.597173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.597173 (E_RNA) where: Base-Base interactions energy: -657.271 where: short stacking energy: -341.546 Base-Backbone interact. energy: -2.553 local terms energy: -546.772439 where: bonds (distance) C4'-P energy: -141.185 bonds (distance) P-C4' energy: -156.488 flat angles C4'-P-C4' energy: -123.951 flat angles P-C4'-P energy: -91.545 tors. eta vs tors. theta energy: -33.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -780.324520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.324520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.324520 (E_RNA) where: Base-Base interactions energy: -303.752 where: short stacking energy: -207.508 Base-Backbone interact. energy: 9.827 local terms energy: -486.400308 where: bonds (distance) C4'-P energy: -136.274 bonds (distance) P-C4' energy: -151.537 flat angles C4'-P-C4' energy: -137.609 flat angles P-C4'-P energy: -64.536 tors. eta vs tors. theta energy: 3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -727.068762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.068762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.068762 (E_RNA) where: Base-Base interactions energy: -256.882 where: short stacking energy: -191.573 Base-Backbone interact. energy: 0.930 local terms energy: -471.117637 where: bonds (distance) C4'-P energy: -121.835 bonds (distance) P-C4' energy: -151.265 flat angles C4'-P-C4' energy: -136.948 flat angles P-C4'-P energy: -76.753 tors. eta vs tors. theta energy: 15.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3089.456405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.456405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.456405 (E_RNA) where: Base-Base interactions energy: -2104.241 where: short stacking energy: -882.311 Base-Backbone interact. energy: -2.631 local terms energy: -982.584640 where: bonds (distance) C4'-P energy: -179.584 bonds (distance) P-C4' energy: -187.991 flat angles C4'-P-C4' energy: -213.535 flat angles P-C4'-P energy: -138.536 tors. eta vs tors. theta energy: -262.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2939.981425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.981425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.981425 (E_RNA) where: Base-Base interactions energy: -1999.829 where: short stacking energy: -832.925 Base-Backbone interact. energy: -5.768 local terms energy: -934.384204 where: bonds (distance) C4'-P energy: -172.300 bonds (distance) P-C4' energy: -163.935 flat angles C4'-P-C4' energy: -204.006 flat angles P-C4'-P energy: -141.329 tors. eta vs tors. theta energy: -252.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2828.365456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.365456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.365456 (E_RNA) where: Base-Base interactions energy: -1905.949 where: short stacking energy: -774.223 Base-Backbone interact. energy: -3.706 local terms energy: -918.710172 where: bonds (distance) C4'-P energy: -174.160 bonds (distance) P-C4' energy: -166.819 flat angles C4'-P-C4' energy: -201.422 flat angles P-C4'-P energy: -131.666 tors. eta vs tors. theta energy: -244.643 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: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2724.589023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.589023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.589023 (E_RNA) where: Base-Base interactions energy: -1874.158 where: short stacking energy: -808.318 Base-Backbone interact. energy: -3.284 local terms energy: -847.146470 where: bonds (distance) C4'-P energy: -155.536 bonds (distance) P-C4' energy: -147.862 flat angles C4'-P-C4' energy: -193.518 flat angles P-C4'-P energy: -125.447 tors. eta vs tors. theta energy: -224.783 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: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2411.262295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.262295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.262295 (E_RNA) where: Base-Base interactions energy: -1583.189 where: short stacking energy: -695.155 Base-Backbone interact. energy: -3.018 local terms energy: -825.055882 where: bonds (distance) C4'-P energy: -153.092 bonds (distance) P-C4' energy: -173.351 flat angles C4'-P-C4' energy: -175.310 flat angles P-C4'-P energy: -114.468 tors. eta vs tors. theta energy: -208.835 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: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2088.612156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.612156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.612156 (E_RNA) where: Base-Base interactions energy: -1360.153 where: short stacking energy: -580.789 Base-Backbone interact. energy: -0.582 local terms energy: -727.877866 where: bonds (distance) C4'-P energy: -134.877 bonds (distance) P-C4' energy: -159.834 flat angles C4'-P-C4' energy: -171.600 flat angles P-C4'-P energy: -110.700 tors. eta vs tors. theta energy: -150.867 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: 9 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1621.208568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.208568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.208568 (E_RNA) where: Base-Base interactions energy: -978.131 where: short stacking energy: -466.707 Base-Backbone interact. energy: -2.640 local terms energy: -640.437460 where: bonds (distance) C4'-P energy: -153.839 bonds (distance) P-C4' energy: -159.199 flat angles C4'-P-C4' energy: -139.591 flat angles P-C4'-P energy: -105.304 tors. eta vs tors. theta energy: -82.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1144.414761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.414761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.414761 (E_RNA) where: Base-Base interactions energy: -598.419 where: short stacking energy: -290.387 Base-Backbone interact. energy: 3.631 local terms energy: -549.626390 where: bonds (distance) C4'-P energy: -123.182 bonds (distance) P-C4' energy: -167.330 flat angles C4'-P-C4' energy: -149.081 flat angles P-C4'-P energy: -97.436 tors. eta vs tors. theta energy: -12.597 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: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -808.865225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.865225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.865225 (E_RNA) where: Base-Base interactions energy: -317.300 where: short stacking energy: -220.744 Base-Backbone interact. energy: -3.489 local terms energy: -488.076478 where: bonds (distance) C4'-P energy: -154.647 bonds (distance) P-C4' energy: -150.417 flat angles C4'-P-C4' energy: -114.087 flat angles P-C4'-P energy: -96.096 tors. eta vs tors. theta energy: 27.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -689.342294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.342294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.342294 (E_RNA) where: Base-Base interactions energy: -211.850 where: short stacking energy: -143.778 Base-Backbone interact. energy: 6.642 local terms energy: -484.134540 where: bonds (distance) C4'-P energy: -147.422 bonds (distance) P-C4' energy: -155.044 flat angles C4'-P-C4' energy: -134.265 flat angles P-C4'-P energy: -67.628 tors. eta vs tors. theta energy: 20.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3101.267682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.267682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.267682 (E_RNA) where: Base-Base interactions energy: -2117.019 where: short stacking energy: -863.173 Base-Backbone interact. energy: -2.113 local terms energy: -982.135460 where: bonds (distance) C4'-P energy: -186.730 bonds (distance) P-C4' energy: -181.276 flat angles C4'-P-C4' energy: -207.195 flat angles P-C4'-P energy: -142.482 tors. eta vs tors. theta energy: -264.452 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: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2939.847641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.847641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.847641 (E_RNA) where: Base-Base interactions energy: -2008.115 where: short stacking energy: -872.077 Base-Backbone interact. energy: -5.530 local terms energy: -926.202051 where: bonds (distance) C4'-P energy: -187.033 bonds (distance) P-C4' energy: -150.275 flat angles C4'-P-C4' energy: -195.038 flat angles P-C4'-P energy: -120.115 tors. eta vs tors. theta energy: -273.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2889.342321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.342321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.342321 (E_RNA) where: Base-Base interactions energy: -1986.325 where: short stacking energy: -804.545 Base-Backbone interact. energy: -9.321 local terms energy: -893.696819 where: bonds (distance) C4'-P energy: -169.889 bonds (distance) P-C4' energy: -166.317 flat angles C4'-P-C4' energy: -193.019 flat angles P-C4'-P energy: -122.630 tors. eta vs tors. theta energy: -241.842 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: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2711.376421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.376421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.376421 (E_RNA) where: Base-Base interactions energy: -1845.138 where: short stacking energy: -789.149 Base-Backbone interact. energy: 1.033 local terms energy: -867.270641 where: bonds (distance) C4'-P energy: -147.902 bonds (distance) P-C4' energy: -164.420 flat angles C4'-P-C4' energy: -188.093 flat angles P-C4'-P energy: -143.292 tors. eta vs tors. theta energy: -223.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2358.253561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.253561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.253561 (E_RNA) where: Base-Base interactions energy: -1524.669 where: short stacking energy: -669.136 Base-Backbone interact. energy: -2.045 local terms energy: -831.539460 where: bonds (distance) C4'-P energy: -160.744 bonds (distance) P-C4' energy: -175.450 flat angles C4'-P-C4' energy: -182.712 flat angles P-C4'-P energy: -115.014 tors. eta vs tors. theta energy: -197.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2044.792383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.792383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.792383 (E_RNA) where: Base-Base interactions energy: -1313.128 where: short stacking energy: -573.900 Base-Backbone interact. energy: -2.402 local terms energy: -729.262701 where: bonds (distance) C4'-P energy: -148.109 bonds (distance) P-C4' energy: -158.357 flat angles C4'-P-C4' energy: -185.644 flat angles P-C4'-P energy: -94.792 tors. eta vs tors. theta energy: -142.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1709.321926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.321926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.321926 (E_RNA) where: Base-Base interactions energy: -999.321 where: short stacking energy: -493.165 Base-Backbone interact. energy: 3.937 local terms energy: -713.938196 where: bonds (distance) C4'-P energy: -170.004 bonds (distance) P-C4' energy: -165.874 flat angles C4'-P-C4' energy: -168.773 flat angles P-C4'-P energy: -86.572 tors. eta vs tors. theta energy: -122.715 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: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1127.309167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.309167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.309167 (E_RNA) where: Base-Base interactions energy: -569.620 where: short stacking energy: -310.545 Base-Backbone interact. energy: -0.944 local terms energy: -556.745153 where: bonds (distance) C4'-P energy: -159.554 bonds (distance) P-C4' energy: -149.555 flat angles C4'-P-C4' energy: -142.494 flat angles P-C4'-P energy: -95.043 tors. eta vs tors. theta energy: -10.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -764.918058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.918058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.918058 (E_RNA) where: Base-Base interactions energy: -322.268 where: short stacking energy: -240.099 Base-Backbone interact. energy: 1.888 local terms energy: -444.537866 where: bonds (distance) C4'-P energy: -126.678 bonds (distance) P-C4' energy: -132.483 flat angles C4'-P-C4' energy: -134.404 flat angles P-C4'-P energy: -74.462 tors. eta vs tors. theta energy: 23.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -676.750420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.750420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.750420 (E_RNA) where: Base-Base interactions energy: -234.686 where: short stacking energy: -164.019 Base-Backbone interact. energy: 4.090 local terms energy: -446.154340 where: bonds (distance) C4'-P energy: -144.583 bonds (distance) P-C4' energy: -161.115 flat angles C4'-P-C4' energy: -111.902 flat angles P-C4'-P energy: -73.688 tors. eta vs tors. theta energy: 45.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3110.838054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.838054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.838054 (E_RNA) where: Base-Base interactions energy: -2121.481 where: short stacking energy: -901.519 Base-Backbone interact. energy: -3.257 local terms energy: -986.099807 where: bonds (distance) C4'-P energy: -191.263 bonds (distance) P-C4' energy: -201.790 flat angles C4'-P-C4' energy: -202.005 flat angles P-C4'-P energy: -122.563 tors. eta vs tors. theta energy: -268.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2921.003391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.003391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.003391 (E_RNA) where: Base-Base interactions energy: -2021.997 where: short stacking energy: -838.940 Base-Backbone interact. energy: -2.305 local terms energy: -896.701296 where: bonds (distance) C4'-P energy: -169.257 bonds (distance) P-C4' energy: -166.545 flat angles C4'-P-C4' energy: -188.711 flat angles P-C4'-P energy: -117.628 tors. eta vs tors. theta energy: -254.561 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: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2864.213470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.213470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.213470 (E_RNA) where: Base-Base interactions energy: -1948.550 where: short stacking energy: -825.136 Base-Backbone interact. energy: -8.223 local terms energy: -907.440596 where: bonds (distance) C4'-P energy: -176.233 bonds (distance) P-C4' energy: -163.737 flat angles C4'-P-C4' energy: -204.603 flat angles P-C4'-P energy: -119.903 tors. eta vs tors. theta energy: -242.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2755.549170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.549170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.549170 (E_RNA) where: Base-Base interactions energy: -1874.019 where: short stacking energy: -798.474 Base-Backbone interact. energy: 0.652 local terms energy: -882.181534 where: bonds (distance) C4'-P energy: -173.559 bonds (distance) P-C4' energy: -151.478 flat angles C4'-P-C4' energy: -182.845 flat angles P-C4'-P energy: -128.117 tors. eta vs tors. theta energy: -246.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2384.713329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.713329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.713329 (E_RNA) where: Base-Base interactions energy: -1552.274 where: short stacking energy: -692.488 Base-Backbone interact. energy: -3.286 local terms energy: -829.154188 where: bonds (distance) C4'-P energy: -167.548 bonds (distance) P-C4' energy: -157.325 flat angles C4'-P-C4' energy: -175.054 flat angles P-C4'-P energy: -127.139 tors. eta vs tors. theta energy: -202.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2043.479071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.479071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.479071 (E_RNA) where: Base-Base interactions energy: -1323.596 where: short stacking energy: -584.222 Base-Backbone interact. energy: 1.211 local terms energy: -721.093717 where: bonds (distance) C4'-P energy: -156.619 bonds (distance) P-C4' energy: -144.034 flat angles C4'-P-C4' energy: -165.831 flat angles P-C4'-P energy: -99.506 tors. eta vs tors. theta energy: -155.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1635.150537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.150537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.150537 (E_RNA) where: Base-Base interactions energy: -1003.846 where: short stacking energy: -454.839 Base-Backbone interact. energy: -1.582 local terms energy: -629.722584 where: bonds (distance) C4'-P energy: -140.186 bonds (distance) P-C4' energy: -169.313 flat angles C4'-P-C4' energy: -147.218 flat angles P-C4'-P energy: -78.247 tors. eta vs tors. theta energy: -94.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1195.212648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.212648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.212648 (E_RNA) where: Base-Base interactions energy: -643.675 where: short stacking energy: -345.533 Base-Backbone interact. energy: 4.056 local terms energy: -555.593234 where: bonds (distance) C4'-P energy: -154.132 bonds (distance) P-C4' energy: -158.464 flat angles C4'-P-C4' energy: -134.364 flat angles P-C4'-P energy: -66.674 tors. eta vs tors. theta energy: -41.960 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: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -752.905935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.905935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.905935 (E_RNA) where: Base-Base interactions energy: -261.056 where: short stacking energy: -173.394 Base-Backbone interact. energy: 3.874 local terms energy: -495.724735 where: bonds (distance) C4'-P energy: -137.781 bonds (distance) P-C4' energy: -161.837 flat angles C4'-P-C4' energy: -162.094 flat angles P-C4'-P energy: -53.753 tors. eta vs tors. theta energy: 19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -650.089569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.089569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.089569 (E_RNA) where: Base-Base interactions energy: -188.890 where: short stacking energy: -143.430 Base-Backbone interact. energy: -2.213 local terms energy: -458.986348 where: bonds (distance) C4'-P energy: -137.325 bonds (distance) P-C4' energy: -155.676 flat angles C4'-P-C4' energy: -132.657 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: 40.140 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: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3088.785069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.785069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.785069 (E_RNA) where: Base-Base interactions energy: -2118.545 where: short stacking energy: -871.066 Base-Backbone interact. energy: -4.318 local terms energy: -965.922572 where: bonds (distance) C4'-P energy: -165.239 bonds (distance) P-C4' energy: -184.486 flat angles C4'-P-C4' energy: -208.947 flat angles P-C4'-P energy: -139.591 tors. eta vs tors. theta energy: -267.660 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: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2909.995551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.995551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.995551 (E_RNA) where: Base-Base interactions energy: -1977.952 where: short stacking energy: -826.833 Base-Backbone interact. energy: 0.413 local terms energy: -932.456892 where: bonds (distance) C4'-P energy: -172.168 bonds (distance) P-C4' energy: -196.701 flat angles C4'-P-C4' energy: -194.588 flat angles P-C4'-P energy: -121.792 tors. eta vs tors. theta energy: -247.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2822.351960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.351960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.351960 (E_RNA) where: Base-Base interactions energy: -1908.224 where: short stacking energy: -789.071 Base-Backbone interact. energy: -1.969 local terms energy: -912.158906 where: bonds (distance) C4'-P energy: -167.128 bonds (distance) P-C4' energy: -164.026 flat angles C4'-P-C4' energy: -196.350 flat angles P-C4'-P energy: -147.046 tors. eta vs tors. theta energy: -237.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2690.473059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.473059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.473059 (E_RNA) where: Base-Base interactions energy: -1806.905 where: short stacking energy: -757.736 Base-Backbone interact. energy: -1.454 local terms energy: -882.113813 where: bonds (distance) C4'-P energy: -164.749 bonds (distance) P-C4' energy: -170.522 flat angles C4'-P-C4' energy: -188.444 flat angles P-C4'-P energy: -129.213 tors. eta vs tors. theta energy: -229.186 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: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2349.488049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.488049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.488049 (E_RNA) where: Base-Base interactions energy: -1579.483 where: short stacking energy: -731.365 Base-Backbone interact. energy: -0.563 local terms energy: -769.441953 where: bonds (distance) C4'-P energy: -148.736 bonds (distance) P-C4' energy: -153.381 flat angles C4'-P-C4' energy: -177.626 flat angles P-C4'-P energy: -97.053 tors. eta vs tors. theta energy: -192.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2022.905298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.905298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.905298 (E_RNA) where: Base-Base interactions energy: -1277.588 where: short stacking energy: -565.711 Base-Backbone interact. energy: 2.254 local terms energy: -747.571261 where: bonds (distance) C4'-P energy: -166.864 bonds (distance) P-C4' energy: -157.033 flat angles C4'-P-C4' energy: -175.017 flat angles P-C4'-P energy: -102.420 tors. eta vs tors. theta energy: -146.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1685.820467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.820467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.820467 (E_RNA) where: Base-Base interactions energy: -1018.879 where: short stacking energy: -455.518 Base-Backbone interact. energy: 0.038 local terms energy: -666.979523 where: bonds (distance) C4'-P energy: -172.386 bonds (distance) P-C4' energy: -155.461 flat angles C4'-P-C4' energy: -147.937 flat angles P-C4'-P energy: -79.176 tors. eta vs tors. theta energy: -112.020 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: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1208.494521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.494521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.494521 (E_RNA) where: Base-Base interactions energy: -621.047 where: short stacking energy: -335.945 Base-Backbone interact. energy: -3.394 local terms energy: -584.052953 where: bonds (distance) C4'-P energy: -151.624 bonds (distance) P-C4' energy: -166.802 flat angles C4'-P-C4' energy: -134.625 flat angles P-C4'-P energy: -84.004 tors. eta vs tors. theta energy: -46.997 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: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -817.491458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.491458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.491458 (E_RNA) where: Base-Base interactions energy: -395.201 where: short stacking energy: -240.648 Base-Backbone interact. energy: 21.716 local terms energy: -444.006862 where: bonds (distance) C4'-P energy: -113.389 bonds (distance) P-C4' energy: -155.517 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -81.708 tors. eta vs tors. theta energy: 23.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -692.358812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.358812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.358812 (E_RNA) where: Base-Base interactions energy: -251.948 where: short stacking energy: -162.697 Base-Backbone interact. energy: -2.055 local terms energy: -438.355882 where: bonds (distance) C4'-P energy: -143.814 bonds (distance) P-C4' energy: -159.470 flat angles C4'-P-C4' energy: -110.625 flat angles P-C4'-P energy: -63.695 tors. eta vs tors. theta energy: 39.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3081.581034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.581034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.581034 (E_RNA) where: Base-Base interactions energy: -2122.967 where: short stacking energy: -886.527 Base-Backbone interact. energy: -0.702 local terms energy: -957.912048 where: bonds (distance) C4'-P energy: -167.074 bonds (distance) P-C4' energy: -179.988 flat angles C4'-P-C4' energy: -211.328 flat angles P-C4'-P energy: -130.188 tors. eta vs tors. theta energy: -269.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2925.102305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.102305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.102305 (E_RNA) where: Base-Base interactions energy: -2034.287 where: short stacking energy: -820.259 Base-Backbone interact. energy: -5.620 local terms energy: -885.195109 where: bonds (distance) C4'-P energy: -166.869 bonds (distance) P-C4' energy: -172.200 flat angles C4'-P-C4' energy: -184.236 flat angles P-C4'-P energy: -122.534 tors. eta vs tors. theta energy: -239.356 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: 3, replica: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2820.989414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.989414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.989414 (E_RNA) where: Base-Base interactions energy: -1926.285 where: short stacking energy: -753.216 Base-Backbone interact. energy: -0.326 local terms energy: -894.378518 where: bonds (distance) C4'-P energy: -186.891 bonds (distance) P-C4' energy: -178.019 flat angles C4'-P-C4' energy: -185.915 flat angles P-C4'-P energy: -117.156 tors. eta vs tors. theta energy: -226.397 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: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2715.656636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.656636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.656636 (E_RNA) where: Base-Base interactions energy: -1840.017 where: short stacking energy: -771.436 Base-Backbone interact. energy: 4.947 local terms energy: -880.585905 where: bonds (distance) C4'-P energy: -174.086 bonds (distance) P-C4' energy: -171.939 flat angles C4'-P-C4' energy: -188.152 flat angles P-C4'-P energy: -123.542 tors. eta vs tors. theta energy: -222.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2344.856892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.856892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.856892 (E_RNA) where: Base-Base interactions energy: -1523.670 where: short stacking energy: -674.120 Base-Backbone interact. energy: -2.159 local terms energy: -819.027632 where: bonds (distance) C4'-P energy: -158.940 bonds (distance) P-C4' energy: -165.636 flat angles C4'-P-C4' energy: -180.215 flat angles P-C4'-P energy: -116.957 tors. eta vs tors. theta energy: -197.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1954.642103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.642103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.642103 (E_RNA) where: Base-Base interactions energy: -1214.930 where: short stacking energy: -532.436 Base-Backbone interact. energy: -0.952 local terms energy: -738.760236 where: bonds (distance) C4'-P energy: -165.642 bonds (distance) P-C4' energy: -160.514 flat angles C4'-P-C4' energy: -180.709 flat angles P-C4'-P energy: -97.820 tors. eta vs tors. theta energy: -134.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1708.467227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.467227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.467227 (E_RNA) where: Base-Base interactions energy: -1068.759 where: short stacking energy: -468.925 Base-Backbone interact. energy: -0.369 local terms energy: -639.339395 where: bonds (distance) C4'-P energy: -139.759 bonds (distance) P-C4' energy: -152.500 flat angles C4'-P-C4' energy: -157.800 flat angles P-C4'-P energy: -93.163 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: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1144.336656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.336656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.336656 (E_RNA) where: Base-Base interactions energy: -568.742 where: short stacking energy: -322.105 Base-Backbone interact. energy: 5.849 local terms energy: -581.444114 where: bonds (distance) C4'-P energy: -147.846 bonds (distance) P-C4' energy: -166.785 flat angles C4'-P-C4' energy: -144.052 flat angles P-C4'-P energy: -85.629 tors. eta vs tors. theta energy: -37.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -829.841287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.841287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.841287 (E_RNA) where: Base-Base interactions energy: -322.929 where: short stacking energy: -210.533 Base-Backbone interact. energy: 1.279 local terms energy: -508.191673 where: bonds (distance) C4'-P energy: -128.587 bonds (distance) P-C4' energy: -170.363 flat angles C4'-P-C4' energy: -134.567 flat angles P-C4'-P energy: -75.795 tors. eta vs tors. theta energy: 1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -647.491917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.491917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.491917 (E_RNA) where: Base-Base interactions energy: -224.098 where: short stacking energy: -184.001 Base-Backbone interact. energy: -1.928 local terms energy: -421.466209 where: bonds (distance) C4'-P energy: -142.341 bonds (distance) P-C4' energy: -157.116 flat angles C4'-P-C4' energy: -113.861 flat angles P-C4'-P energy: -56.884 tors. eta vs tors. theta energy: 48.736 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: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3096.989304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.989304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.989304 (E_RNA) where: Base-Base interactions energy: -2116.580 where: short stacking energy: -887.207 Base-Backbone interact. energy: -2.861 local terms energy: -977.548651 where: bonds (distance) C4'-P energy: -190.496 bonds (distance) P-C4' energy: -172.563 flat angles C4'-P-C4' energy: -204.431 flat angles P-C4'-P energy: -140.535 tors. eta vs tors. theta energy: -269.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2932.145023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.145023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.145023 (E_RNA) where: Base-Base interactions energy: -1962.608 where: short stacking energy: -817.483 Base-Backbone interact. energy: 3.547 local terms energy: -973.084721 where: bonds (distance) C4'-P energy: -190.124 bonds (distance) P-C4' energy: -181.694 flat angles C4'-P-C4' energy: -207.080 flat angles P-C4'-P energy: -135.782 tors. eta vs tors. theta energy: -258.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2855.073462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.073462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.073462 (E_RNA) where: Base-Base interactions energy: -1965.638 where: short stacking energy: -771.437 Base-Backbone interact. energy: 0.241 local terms energy: -889.676376 where: bonds (distance) C4'-P energy: -159.355 bonds (distance) P-C4' energy: -175.781 flat angles C4'-P-C4' energy: -191.943 flat angles P-C4'-P energy: -131.428 tors. eta vs tors. theta energy: -231.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2681.365632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.365632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.365632 (E_RNA) where: Base-Base interactions energy: -1861.573 where: short stacking energy: -785.517 Base-Backbone interact. energy: -6.482 local terms energy: -813.311288 where: bonds (distance) C4'-P energy: -150.452 bonds (distance) P-C4' energy: -138.444 flat angles C4'-P-C4' energy: -188.775 flat angles P-C4'-P energy: -110.895 tors. eta vs tors. theta energy: -224.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2389.111536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.111536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.111536 (E_RNA) where: Base-Base interactions energy: -1563.002 where: short stacking energy: -688.939 Base-Backbone interact. energy: 4.147 local terms energy: -830.256291 where: bonds (distance) C4'-P energy: -150.035 bonds (distance) P-C4' energy: -172.730 flat angles C4'-P-C4' energy: -192.560 flat angles P-C4'-P energy: -119.736 tors. eta vs tors. theta energy: -195.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1947.240554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.240554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.240554 (E_RNA) where: Base-Base interactions energy: -1243.334 where: short stacking energy: -570.674 Base-Backbone interact. energy: -5.863 local terms energy: -698.043225 where: bonds (distance) C4'-P energy: -137.525 bonds (distance) P-C4' energy: -176.436 flat angles C4'-P-C4' energy: -150.007 flat angles P-C4'-P energy: -78.217 tors. eta vs tors. theta energy: -155.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1708.116897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.116897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.116897 (E_RNA) where: Base-Base interactions energy: -1027.807 where: short stacking energy: -451.007 Base-Backbone interact. energy: -3.379 local terms energy: -676.930909 where: bonds (distance) C4'-P energy: -151.136 bonds (distance) P-C4' energy: -160.313 flat angles C4'-P-C4' energy: -166.926 flat angles P-C4'-P energy: -101.502 tors. eta vs tors. theta energy: -97.054 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: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1155.578845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.578845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.578845 (E_RNA) where: Base-Base interactions energy: -573.577 where: short stacking energy: -272.095 Base-Backbone interact. energy: 7.269 local terms energy: -589.270928 where: bonds (distance) C4'-P energy: -165.892 bonds (distance) P-C4' energy: -154.417 flat angles C4'-P-C4' energy: -141.327 flat angles P-C4'-P energy: -97.713 tors. eta vs tors. theta energy: -29.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -797.782460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.782460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.782460 (E_RNA) where: Base-Base interactions energy: -362.982 where: short stacking energy: -267.486 Base-Backbone interact. energy: 8.267 local terms energy: -443.067407 where: bonds (distance) C4'-P energy: -153.405 bonds (distance) P-C4' energy: -160.142 flat angles C4'-P-C4' energy: -87.773 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: 22.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -655.795797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.795797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.795797 (E_RNA) where: Base-Base interactions energy: -230.492 where: short stacking energy: -164.547 Base-Backbone interact. energy: 5.040 local terms energy: -430.344019 where: bonds (distance) C4'-P energy: -133.437 bonds (distance) P-C4' energy: -168.518 flat angles C4'-P-C4' energy: -104.362 flat angles P-C4'-P energy: -60.293 tors. eta vs tors. theta energy: 36.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3088.591381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.591381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.591381 (E_RNA) where: Base-Base interactions energy: -2105.947 where: short stacking energy: -854.295 Base-Backbone interact. energy: -2.234 local terms energy: -980.410218 where: bonds (distance) C4'-P energy: -185.849 bonds (distance) P-C4' energy: -192.072 flat angles C4'-P-C4' energy: -211.188 flat angles P-C4'-P energy: -133.695 tors. eta vs tors. theta energy: -257.606 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: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2918.112411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.112411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.112411 (E_RNA) where: Base-Base interactions energy: -2004.798 where: short stacking energy: -835.164 Base-Backbone interact. energy: 3.039 local terms energy: -916.353776 where: bonds (distance) C4'-P energy: -169.507 bonds (distance) P-C4' energy: -166.252 flat angles C4'-P-C4' energy: -209.541 flat angles P-C4'-P energy: -124.984 tors. eta vs tors. theta energy: -246.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2816.512313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.512313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.512313 (E_RNA) where: Base-Base interactions energy: -1914.239 where: short stacking energy: -782.043 Base-Backbone interact. energy: -1.782 local terms energy: -900.491642 where: bonds (distance) C4'-P energy: -184.880 bonds (distance) P-C4' energy: -153.648 flat angles C4'-P-C4' energy: -203.999 flat angles P-C4'-P energy: -136.418 tors. eta vs tors. theta energy: -221.547 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: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2674.217859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.217859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.217859 (E_RNA) where: Base-Base interactions energy: -1850.524 where: short stacking energy: -735.569 Base-Backbone interact. energy: -3.607 local terms energy: -820.087047 where: bonds (distance) C4'-P energy: -159.821 bonds (distance) P-C4' energy: -156.761 flat angles C4'-P-C4' energy: -188.401 flat angles P-C4'-P energy: -113.660 tors. eta vs tors. theta energy: -201.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2307.480125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.480125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.480125 (E_RNA) where: Base-Base interactions energy: -1534.011 where: short stacking energy: -649.659 Base-Backbone interact. energy: 1.619 local terms energy: -775.087691 where: bonds (distance) C4'-P energy: -139.258 bonds (distance) P-C4' energy: -155.098 flat angles C4'-P-C4' energy: -181.227 flat angles P-C4'-P energy: -114.253 tors. eta vs tors. theta energy: -185.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1953.931993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.931993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.931993 (E_RNA) where: Base-Base interactions energy: -1246.218 where: short stacking energy: -553.483 Base-Backbone interact. energy: -1.628 local terms energy: -706.085567 where: bonds (distance) C4'-P energy: -138.999 bonds (distance) P-C4' energy: -163.871 flat angles C4'-P-C4' energy: -175.603 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -129.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1731.358135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.358135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.358135 (E_RNA) where: Base-Base interactions energy: -1050.712 where: short stacking energy: -457.983 Base-Backbone interact. energy: 1.447 local terms energy: -682.094120 where: bonds (distance) C4'-P energy: -179.624 bonds (distance) P-C4' energy: -150.173 flat angles C4'-P-C4' energy: -150.092 flat angles P-C4'-P energy: -99.952 tors. eta vs tors. theta energy: -102.253 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: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1137.721512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.721512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.721512 (E_RNA) where: Base-Base interactions energy: -585.178 where: short stacking energy: -314.243 Base-Backbone interact. energy: -0.125 local terms energy: -552.419276 where: bonds (distance) C4'-P energy: -157.019 bonds (distance) P-C4' energy: -164.552 flat angles C4'-P-C4' energy: -121.041 flat angles P-C4'-P energy: -81.365 tors. eta vs tors. theta energy: -28.442 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: 9, replica: 8 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -768.955543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.955543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.955543 (E_RNA) where: Base-Base interactions energy: -342.097 where: short stacking energy: -244.630 Base-Backbone interact. energy: 9.854 local terms energy: -436.712110 where: bonds (distance) C4'-P energy: -142.723 bonds (distance) P-C4' energy: -160.032 flat angles C4'-P-C4' energy: -122.615 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: 39.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -634.722161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.722161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.722161 (E_RNA) where: Base-Base interactions energy: -223.064 where: short stacking energy: -162.293 Base-Backbone interact. energy: 5.950 local terms energy: -417.608377 where: bonds (distance) C4'-P energy: -161.841 bonds (distance) P-C4' energy: -139.168 flat angles C4'-P-C4' energy: -121.993 flat angles P-C4'-P energy: -56.058 tors. eta vs tors. theta energy: 61.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3092.381412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.381412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.381412 (E_RNA) where: Base-Base interactions energy: -2110.746 where: short stacking energy: -889.120 Base-Backbone interact. energy: 1.538 local terms energy: -983.173821 where: bonds (distance) C4'-P energy: -179.204 bonds (distance) P-C4' energy: -176.689 flat angles C4'-P-C4' energy: -217.857 flat angles P-C4'-P energy: -143.378 tors. eta vs tors. theta energy: -266.046 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: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2920.683226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.683226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.683226 (E_RNA) where: Base-Base interactions energy: -2008.778 where: short stacking energy: -814.416 Base-Backbone interact. energy: -2.817 local terms energy: -909.087617 where: bonds (distance) C4'-P energy: -162.307 bonds (distance) P-C4' energy: -179.413 flat angles C4'-P-C4' energy: -206.816 flat angles P-C4'-P energy: -126.488 tors. eta vs tors. theta energy: -234.063 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: 3, replica: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2810.130123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.130123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.130123 (E_RNA) where: Base-Base interactions energy: -1922.108 where: short stacking energy: -781.151 Base-Backbone interact. energy: -1.881 local terms energy: -886.141010 where: bonds (distance) C4'-P energy: -160.552 bonds (distance) P-C4' energy: -175.900 flat angles C4'-P-C4' energy: -187.429 flat angles P-C4'-P energy: -131.363 tors. eta vs tors. theta energy: -230.897 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: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2733.412680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.412680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.412680 (E_RNA) where: Base-Base interactions energy: -1900.965 where: short stacking energy: -776.893 Base-Backbone interact. energy: 2.849 local terms energy: -835.296579 where: bonds (distance) C4'-P energy: -148.680 bonds (distance) P-C4' energy: -164.195 flat angles C4'-P-C4' energy: -179.410 flat angles P-C4'-P energy: -118.987 tors. eta vs tors. theta energy: -224.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2320.181586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.181586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.181586 (E_RNA) where: Base-Base interactions energy: -1527.008 where: short stacking energy: -654.702 Base-Backbone interact. energy: -1.156 local terms energy: -792.017744 where: bonds (distance) C4'-P energy: -163.052 bonds (distance) P-C4' energy: -170.593 flat angles C4'-P-C4' energy: -177.096 flat angles P-C4'-P energy: -101.375 tors. eta vs tors. theta energy: -179.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1944.264855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.264855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.264855 (E_RNA) where: Base-Base interactions energy: -1222.545 where: short stacking energy: -527.777 Base-Backbone interact. energy: -1.148 local terms energy: -720.571866 where: bonds (distance) C4'-P energy: -148.159 bonds (distance) P-C4' energy: -161.100 flat angles C4'-P-C4' energy: -172.087 flat angles P-C4'-P energy: -96.423 tors. eta vs tors. theta energy: -142.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1703.356092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.356092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.356092 (E_RNA) where: Base-Base interactions energy: -1039.143 where: short stacking energy: -458.717 Base-Backbone interact. energy: -2.217 local terms energy: -661.996257 where: bonds (distance) C4'-P energy: -157.080 bonds (distance) P-C4' energy: -165.976 flat angles C4'-P-C4' energy: -144.813 flat angles P-C4'-P energy: -110.806 tors. eta vs tors. theta energy: -83.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1130.459407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.459407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.459407 (E_RNA) where: Base-Base interactions energy: -583.650 where: short stacking energy: -294.268 Base-Backbone interact. energy: 8.538 local terms energy: -555.347758 where: bonds (distance) C4'-P energy: -161.207 bonds (distance) P-C4' energy: -147.929 flat angles C4'-P-C4' energy: -137.902 flat angles P-C4'-P energy: -84.093 tors. eta vs tors. theta energy: -24.217 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: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -775.782384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.782384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.782384 (E_RNA) where: Base-Base interactions energy: -302.235 where: short stacking energy: -212.859 Base-Backbone interact. energy: -0.472 local terms energy: -473.075402 where: bonds (distance) C4'-P energy: -140.919 bonds (distance) P-C4' energy: -156.192 flat angles C4'-P-C4' energy: -136.930 flat angles P-C4'-P energy: -66.583 tors. eta vs tors. theta energy: 27.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -670.518663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.518663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.518663 (E_RNA) where: Base-Base interactions energy: -221.092 where: short stacking energy: -176.358 Base-Backbone interact. energy: 4.928 local terms energy: -454.354970 where: bonds (distance) C4'-P energy: -157.751 bonds (distance) P-C4' energy: -165.134 flat angles C4'-P-C4' energy: -98.559 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: 32.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3087.988172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.988172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.988172 (E_RNA) where: Base-Base interactions energy: -2111.784 where: short stacking energy: -914.317 Base-Backbone interact. energy: -2.981 local terms energy: -973.222809 where: bonds (distance) C4'-P energy: -184.978 bonds (distance) P-C4' energy: -176.198 flat angles C4'-P-C4' energy: -205.387 flat angles P-C4'-P energy: -139.430 tors. eta vs tors. theta energy: -267.231 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: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2944.316228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.316228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.316228 (E_RNA) where: Base-Base interactions energy: -1990.158 where: short stacking energy: -858.953 Base-Backbone interact. energy: 2.065 local terms energy: -956.222664 where: bonds (distance) C4'-P energy: -175.599 bonds (distance) P-C4' energy: -183.687 flat angles C4'-P-C4' energy: -205.789 flat angles P-C4'-P energy: -139.131 tors. eta vs tors. theta energy: -252.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2876.731903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.731903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.731903 (E_RNA) where: Base-Base interactions energy: -1952.819 where: short stacking energy: -789.738 Base-Backbone interact. energy: 1.695 local terms energy: -925.607892 where: bonds (distance) C4'-P energy: -169.665 bonds (distance) P-C4' energy: -178.577 flat angles C4'-P-C4' energy: -194.399 flat angles P-C4'-P energy: -141.125 tors. eta vs tors. theta energy: -241.842 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: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2716.834446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.834446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.834446 (E_RNA) where: Base-Base interactions energy: -1851.653 where: short stacking energy: -745.541 Base-Backbone interact. energy: 2.426 local terms energy: -867.607594 where: bonds (distance) C4'-P energy: -171.411 bonds (distance) P-C4' energy: -158.700 flat angles C4'-P-C4' energy: -187.962 flat angles P-C4'-P energy: -130.143 tors. eta vs tors. theta energy: -219.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2310.004727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.004727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.004727 (E_RNA) where: Base-Base interactions energy: -1485.128 where: short stacking energy: -645.129 Base-Backbone interact. energy: -0.546 local terms energy: -824.330807 where: bonds (distance) C4'-P energy: -167.982 bonds (distance) P-C4' energy: -168.196 flat angles C4'-P-C4' energy: -186.793 flat angles P-C4'-P energy: -111.005 tors. eta vs tors. theta energy: -190.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1955.736882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.736882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.736882 (E_RNA) where: Base-Base interactions energy: -1225.420 where: short stacking energy: -570.444 Base-Backbone interact. energy: 1.863 local terms energy: -732.179766 where: bonds (distance) C4'-P energy: -147.889 bonds (distance) P-C4' energy: -163.967 flat angles C4'-P-C4' energy: -166.643 flat angles P-C4'-P energy: -122.844 tors. eta vs tors. theta energy: -130.836 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: 9 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1801.368587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.368587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.368587 (E_RNA) where: Base-Base interactions energy: -1117.299 where: short stacking energy: -506.092 Base-Backbone interact. energy: -4.424 local terms energy: -679.645694 where: bonds (distance) C4'-P energy: -152.163 bonds (distance) P-C4' energy: -152.021 flat angles C4'-P-C4' energy: -152.032 flat angles P-C4'-P energy: -117.956 tors. eta vs tors. theta energy: -105.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1204.444307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.444307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.444307 (E_RNA) where: Base-Base interactions energy: -590.429 where: short stacking energy: -310.359 Base-Backbone interact. energy: 2.162 local terms energy: -616.177324 where: bonds (distance) C4'-P energy: -179.420 bonds (distance) P-C4' energy: -165.215 flat angles C4'-P-C4' energy: -145.353 flat angles P-C4'-P energy: -94.438 tors. eta vs tors. theta energy: -31.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -797.794362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.794362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.794362 (E_RNA) where: Base-Base interactions energy: -334.736 where: short stacking energy: -233.529 Base-Backbone interact. energy: 5.320 local terms energy: -468.378953 where: bonds (distance) C4'-P energy: -127.805 bonds (distance) P-C4' energy: -145.296 flat angles C4'-P-C4' energy: -127.778 flat angles P-C4'-P energy: -81.270 tors. eta vs tors. theta energy: 13.770 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: 5 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -675.062096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.062096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.062096 (E_RNA) where: Base-Base interactions energy: -224.870 where: short stacking energy: -134.941 Base-Backbone interact. energy: -3.925 local terms energy: -446.267390 where: bonds (distance) C4'-P energy: -142.371 bonds (distance) P-C4' energy: -169.923 flat angles C4'-P-C4' energy: -128.648 flat angles P-C4'-P energy: -66.881 tors. eta vs tors. theta energy: 61.555 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: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3103.611237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.611237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.611237 (E_RNA) where: Base-Base interactions energy: -2086.655 where: short stacking energy: -885.812 Base-Backbone interact. energy: -4.120 local terms energy: -1012.836223 where: bonds (distance) C4'-P energy: -186.785 bonds (distance) P-C4' energy: -199.738 flat angles C4'-P-C4' energy: -205.418 flat angles P-C4'-P energy: -141.727 tors. eta vs tors. theta energy: -279.168 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: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2937.018887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.018887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.018887 (E_RNA) where: Base-Base interactions energy: -1992.603 where: short stacking energy: -855.307 Base-Backbone interact. energy: 4.621 local terms energy: -949.037188 where: bonds (distance) C4'-P energy: -166.313 bonds (distance) P-C4' energy: -195.905 flat angles C4'-P-C4' energy: -193.487 flat angles P-C4'-P energy: -128.662 tors. eta vs tors. theta energy: -264.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2890.029707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.029707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.029707 (E_RNA) where: Base-Base interactions energy: -1990.070 where: short stacking energy: -815.487 Base-Backbone interact. energy: -5.087 local terms energy: -894.872034 where: bonds (distance) C4'-P energy: -150.779 bonds (distance) P-C4' energy: -191.319 flat angles C4'-P-C4' energy: -187.518 flat angles P-C4'-P energy: -121.828 tors. eta vs tors. theta energy: -243.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2676.106941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.106941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.106941 (E_RNA) where: Base-Base interactions energy: -1834.631 where: short stacking energy: -779.915 Base-Backbone interact. energy: -4.595 local terms energy: -836.881117 where: bonds (distance) C4'-P energy: -160.247 bonds (distance) P-C4' energy: -153.122 flat angles C4'-P-C4' energy: -189.387 flat angles P-C4'-P energy: -122.715 tors. eta vs tors. theta energy: -211.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2350.322994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.322994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.322994 (E_RNA) where: Base-Base interactions energy: -1514.133 where: short stacking energy: -665.615 Base-Backbone interact. energy: -0.799 local terms energy: -835.391294 where: bonds (distance) C4'-P energy: -142.117 bonds (distance) P-C4' energy: -172.438 flat angles C4'-P-C4' energy: -199.138 flat angles P-C4'-P energy: -127.689 tors. eta vs tors. theta energy: -194.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1981.950377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.950377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.950377 (E_RNA) where: Base-Base interactions energy: -1274.732 where: short stacking energy: -612.712 Base-Backbone interact. energy: -0.641 local terms energy: -706.576707 where: bonds (distance) C4'-P energy: -145.082 bonds (distance) P-C4' energy: -138.402 flat angles C4'-P-C4' energy: -178.441 flat angles P-C4'-P energy: -92.803 tors. eta vs tors. theta energy: -151.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1726.922854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.922854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.922854 (E_RNA) where: Base-Base interactions energy: -1064.231 where: short stacking energy: -437.921 Base-Backbone interact. energy: 2.143 local terms energy: -664.834766 where: bonds (distance) C4'-P energy: -145.006 bonds (distance) P-C4' energy: -147.498 flat angles C4'-P-C4' energy: -166.432 flat angles P-C4'-P energy: -115.517 tors. eta vs tors. theta energy: -90.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1185.368190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.368190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.368190 (E_RNA) where: Base-Base interactions energy: -612.386 where: short stacking energy: -340.010 Base-Backbone interact. energy: -2.591 local terms energy: -570.390419 where: bonds (distance) C4'-P energy: -158.671 bonds (distance) P-C4' energy: -167.210 flat angles C4'-P-C4' energy: -126.361 flat angles P-C4'-P energy: -84.546 tors. eta vs tors. theta energy: -33.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -759.129971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.129971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.129971 (E_RNA) where: Base-Base interactions energy: -289.740 where: short stacking energy: -207.503 Base-Backbone interact. energy: 13.114 local terms energy: -482.503806 where: bonds (distance) C4'-P energy: -147.775 bonds (distance) P-C4' energy: -153.244 flat angles C4'-P-C4' energy: -108.871 flat angles P-C4'-P energy: -90.103 tors. eta vs tors. theta energy: 17.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -685.484638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.484638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.484638 (E_RNA) where: Base-Base interactions energy: -231.003 where: short stacking energy: -188.293 Base-Backbone interact. energy: 6.271 local terms energy: -460.752379 where: bonds (distance) C4'-P energy: -151.368 bonds (distance) P-C4' energy: -139.734 flat angles C4'-P-C4' energy: -127.349 flat angles P-C4'-P energy: -69.968 tors. eta vs tors. theta energy: 27.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3113.094599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.094599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.094599 (E_RNA) where: Base-Base interactions energy: -2128.620 where: short stacking energy: -905.166 Base-Backbone interact. energy: -2.101 local terms energy: -982.374467 where: bonds (distance) C4'-P energy: -189.104 bonds (distance) P-C4' energy: -168.038 flat angles C4'-P-C4' energy: -208.283 flat angles P-C4'-P energy: -152.267 tors. eta vs tors. theta energy: -264.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2951.669967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.669967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.669967 (E_RNA) where: Base-Base interactions energy: -1989.420 where: short stacking energy: -839.929 Base-Backbone interact. energy: -2.522 local terms energy: -959.727315 where: bonds (distance) C4'-P energy: -175.425 bonds (distance) P-C4' energy: -179.267 flat angles C4'-P-C4' energy: -200.748 flat angles P-C4'-P energy: -151.565 tors. eta vs tors. theta energy: -252.722 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: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2849.972889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.972889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.972889 (E_RNA) where: Base-Base interactions energy: -1956.881 where: short stacking energy: -776.704 Base-Backbone interact. energy: -5.235 local terms energy: -887.856931 where: bonds (distance) C4'-P energy: -175.302 bonds (distance) P-C4' energy: -183.284 flat angles C4'-P-C4' energy: -171.960 flat angles P-C4'-P energy: -129.376 tors. eta vs tors. theta energy: -227.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2643.676239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.676239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.676239 (E_RNA) where: Base-Base interactions energy: -1789.929 where: short stacking energy: -735.079 Base-Backbone interact. energy: -4.521 local terms energy: -849.226575 where: bonds (distance) C4'-P energy: -158.799 bonds (distance) P-C4' energy: -155.364 flat angles C4'-P-C4' energy: -203.639 flat angles P-C4'-P energy: -119.231 tors. eta vs tors. theta energy: -212.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2346.568913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.568913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.568913 (E_RNA) where: Base-Base interactions energy: -1522.865 where: short stacking energy: -680.783 Base-Backbone interact. energy: -4.037 local terms energy: -819.667546 where: bonds (distance) C4'-P energy: -145.318 bonds (distance) P-C4' energy: -174.811 flat angles C4'-P-C4' energy: -192.803 flat angles P-C4'-P energy: -117.286 tors. eta vs tors. theta energy: -189.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2034.916789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.916789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.916789 (E_RNA) where: Base-Base interactions energy: -1300.837 where: short stacking energy: -579.231 Base-Backbone interact. energy: -3.211 local terms energy: -730.869419 where: bonds (distance) C4'-P energy: -137.553 bonds (distance) P-C4' energy: -151.003 flat angles C4'-P-C4' energy: -181.262 flat angles P-C4'-P energy: -110.326 tors. eta vs tors. theta energy: -150.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1701.131075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.131075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.131075 (E_RNA) where: Base-Base interactions energy: -1045.785 where: short stacking energy: -450.865 Base-Backbone interact. energy: -2.032 local terms energy: -653.314295 where: bonds (distance) C4'-P energy: -133.245 bonds (distance) P-C4' energy: -170.741 flat angles C4'-P-C4' energy: -151.411 flat angles P-C4'-P energy: -97.827 tors. eta vs tors. theta energy: -100.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1127.046435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.046435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.046435 (E_RNA) where: Base-Base interactions energy: -576.106 where: short stacking energy: -305.211 Base-Backbone interact. energy: -0.104 local terms energy: -550.836299 where: bonds (distance) C4'-P energy: -143.199 bonds (distance) P-C4' energy: -135.829 flat angles C4'-P-C4' energy: -144.653 flat angles P-C4'-P energy: -100.258 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: 9, replica: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -764.588956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.588956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.588956 (E_RNA) where: Base-Base interactions energy: -299.679 where: short stacking energy: -208.574 Base-Backbone interact. energy: 1.668 local terms energy: -466.578388 where: bonds (distance) C4'-P energy: -142.387 bonds (distance) P-C4' energy: -149.350 flat angles C4'-P-C4' energy: -126.968 flat angles P-C4'-P energy: -74.723 tors. eta vs tors. theta energy: 26.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -669.967705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.967705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.967705 (E_RNA) where: Base-Base interactions energy: -256.775 where: short stacking energy: -194.251 Base-Backbone interact. energy: 3.620 local terms energy: -416.812304 where: bonds (distance) C4'-P energy: -120.311 bonds (distance) P-C4' energy: -151.470 flat angles C4'-P-C4' energy: -134.273 flat angles P-C4'-P energy: -70.961 tors. eta vs tors. theta energy: 60.203 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: 7 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3074.280633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.280633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.280633 (E_RNA) where: Base-Base interactions energy: -2084.876 where: short stacking energy: -872.533 Base-Backbone interact. energy: 0.719 local terms energy: -990.124300 where: bonds (distance) C4'-P energy: -186.207 bonds (distance) P-C4' energy: -179.001 flat angles C4'-P-C4' energy: -212.464 flat angles P-C4'-P energy: -137.588 tors. eta vs tors. theta energy: -274.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2916.279423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.279423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.279423 (E_RNA) where: Base-Base interactions energy: -1999.963 where: short stacking energy: -833.733 Base-Backbone interact. energy: -3.436 local terms energy: -912.880414 where: bonds (distance) C4'-P energy: -167.276 bonds (distance) P-C4' energy: -167.517 flat angles C4'-P-C4' energy: -205.834 flat angles P-C4'-P energy: -129.322 tors. eta vs tors. theta energy: -242.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2842.533113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.533113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.533113 (E_RNA) where: Base-Base interactions energy: -1939.648 where: short stacking energy: -789.800 Base-Backbone interact. energy: -7.294 local terms energy: -895.591380 where: bonds (distance) C4'-P energy: -169.365 bonds (distance) P-C4' energy: -168.665 flat angles C4'-P-C4' energy: -211.226 flat angles P-C4'-P energy: -133.247 tors. eta vs tors. theta energy: -213.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2690.954432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.954432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.954432 (E_RNA) where: Base-Base interactions energy: -1821.512 where: short stacking energy: -770.293 Base-Backbone interact. energy: -3.534 local terms energy: -865.909057 where: bonds (distance) C4'-P energy: -160.971 bonds (distance) P-C4' energy: -168.633 flat angles C4'-P-C4' energy: -202.874 flat angles P-C4'-P energy: -102.268 tors. eta vs tors. theta energy: -231.162 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: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2302.595581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.595581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.595581 (E_RNA) where: Base-Base interactions energy: -1500.972 where: short stacking energy: -691.682 Base-Backbone interact. energy: 2.432 local terms energy: -804.056080 where: bonds (distance) C4'-P energy: -167.802 bonds (distance) P-C4' energy: -160.040 flat angles C4'-P-C4' energy: -172.144 flat angles P-C4'-P energy: -109.447 tors. eta vs tors. theta energy: -194.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2097.911875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.911875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.911875 (E_RNA) where: Base-Base interactions energy: -1354.148 where: short stacking energy: -577.069 Base-Backbone interact. energy: 0.916 local terms energy: -744.679409 where: bonds (distance) C4'-P energy: -150.294 bonds (distance) P-C4' energy: -180.028 flat angles C4'-P-C4' energy: -152.852 flat angles P-C4'-P energy: -98.992 tors. eta vs tors. theta energy: -162.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1766.285994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.285994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.285994 (E_RNA) where: Base-Base interactions energy: -1108.524 where: short stacking energy: -491.604 Base-Backbone interact. energy: 1.294 local terms energy: -659.056763 where: bonds (distance) C4'-P energy: -163.267 bonds (distance) P-C4' energy: -146.563 flat angles C4'-P-C4' energy: -134.896 flat angles P-C4'-P energy: -97.601 tors. eta vs tors. theta energy: -116.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1135.107666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.107666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.107666 (E_RNA) where: Base-Base interactions energy: -612.820 where: short stacking energy: -316.310 Base-Backbone interact. energy: 8.098 local terms energy: -530.385676 where: bonds (distance) C4'-P energy: -147.710 bonds (distance) P-C4' energy: -166.699 flat angles C4'-P-C4' energy: -134.073 flat angles P-C4'-P energy: -72.363 tors. eta vs tors. theta energy: -9.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -793.161104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.161104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.161104 (E_RNA) where: Base-Base interactions energy: -314.945 where: short stacking energy: -226.305 Base-Backbone interact. energy: 0.888 local terms energy: -479.104271 where: bonds (distance) C4'-P energy: -143.588 bonds (distance) P-C4' energy: -170.779 flat angles C4'-P-C4' energy: -137.931 flat angles P-C4'-P energy: -66.188 tors. eta vs tors. theta energy: 39.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -656.461090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.461090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.461090 (E_RNA) where: Base-Base interactions energy: -198.691 where: short stacking energy: -171.895 Base-Backbone interact. energy: -2.597 local terms energy: -455.172575 where: bonds (distance) C4'-P energy: -137.928 bonds (distance) P-C4' energy: -164.794 flat angles C4'-P-C4' energy: -128.412 flat angles P-C4'-P energy: -56.256 tors. eta vs tors. theta energy: 32.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3071.975949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.975949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.975949 (E_RNA) where: Base-Base interactions energy: -2076.961 where: short stacking energy: -868.903 Base-Backbone interact. energy: -5.474 local terms energy: -989.540547 where: bonds (distance) C4'-P energy: -189.210 bonds (distance) P-C4' energy: -182.592 flat angles C4'-P-C4' energy: -217.162 flat angles P-C4'-P energy: -127.931 tors. eta vs tors. theta energy: -272.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2895.537769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.537769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.537769 (E_RNA) where: Base-Base interactions energy: -1954.883 where: short stacking energy: -803.889 Base-Backbone interact. energy: 2.002 local terms energy: -942.657336 where: bonds (distance) C4'-P energy: -181.881 bonds (distance) P-C4' energy: -190.802 flat angles C4'-P-C4' energy: -202.532 flat angles P-C4'-P energy: -129.918 tors. eta vs tors. theta energy: -237.524 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: 410 Temperature: 1.000000 Total energy: -2844.359188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.359188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.359188 (E_RNA) where: Base-Base interactions energy: -1937.791 where: short stacking energy: -806.581 Base-Backbone interact. energy: -4.410 local terms energy: -902.157959 where: bonds (distance) C4'-P energy: -180.883 bonds (distance) P-C4' energy: -154.117 flat angles C4'-P-C4' energy: -201.139 flat angles P-C4'-P energy: -124.529 tors. eta vs tors. theta energy: -241.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2719.673777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.673777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.673777 (E_RNA) where: Base-Base interactions energy: -1865.255 where: short stacking energy: -778.348 Base-Backbone interact. energy: 0.622 local terms energy: -855.040094 where: bonds (distance) C4'-P energy: -167.210 bonds (distance) P-C4' energy: -161.975 flat angles C4'-P-C4' energy: -187.487 flat angles P-C4'-P energy: -120.589 tors. eta vs tors. theta energy: -217.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2310.475494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.475494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.475494 (E_RNA) where: Base-Base interactions energy: -1486.516 where: short stacking energy: -651.855 Base-Backbone interact. energy: 2.968 local terms energy: -826.927564 where: bonds (distance) C4'-P energy: -162.469 bonds (distance) P-C4' energy: -178.362 flat angles C4'-P-C4' energy: -185.693 flat angles P-C4'-P energy: -112.408 tors. eta vs tors. theta energy: -187.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2065.000378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.000378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.000378 (E_RNA) where: Base-Base interactions energy: -1332.774 where: short stacking energy: -581.251 Base-Backbone interact. energy: -0.124 local terms energy: -732.102389 where: bonds (distance) C4'-P energy: -146.968 bonds (distance) P-C4' energy: -167.641 flat angles C4'-P-C4' energy: -169.287 flat angles P-C4'-P energy: -98.209 tors. eta vs tors. theta energy: -149.997 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: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1713.964043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.964043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.964043 (E_RNA) where: Base-Base interactions energy: -1074.855 where: short stacking energy: -459.194 Base-Backbone interact. energy: -4.014 local terms energy: -635.095116 where: bonds (distance) C4'-P energy: -151.936 bonds (distance) P-C4' energy: -160.760 flat angles C4'-P-C4' energy: -130.637 flat angles P-C4'-P energy: -92.570 tors. eta vs tors. theta energy: -99.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1139.433910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.433910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.433910 (E_RNA) where: Base-Base interactions energy: -626.691 where: short stacking energy: -306.762 Base-Backbone interact. energy: -3.299 local terms energy: -509.443532 where: bonds (distance) C4'-P energy: -150.089 bonds (distance) P-C4' energy: -170.821 flat angles C4'-P-C4' energy: -118.833 flat angles P-C4'-P energy: -78.567 tors. eta vs tors. theta energy: 8.866 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: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -783.308736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.308736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.308736 (E_RNA) where: Base-Base interactions energy: -294.223 where: short stacking energy: -202.560 Base-Backbone interact. energy: 5.145 local terms energy: -494.231098 where: bonds (distance) C4'-P energy: -149.639 bonds (distance) P-C4' energy: -162.823 flat angles C4'-P-C4' energy: -136.830 flat angles P-C4'-P energy: -66.224 tors. eta vs tors. theta energy: 21.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -647.349180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.349180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.349180 (E_RNA) where: Base-Base interactions energy: -178.266 where: short stacking energy: -160.582 Base-Backbone interact. energy: 1.553 local terms energy: -470.635875 where: bonds (distance) C4'-P energy: -151.860 bonds (distance) P-C4' energy: -182.795 flat angles C4'-P-C4' energy: -108.021 flat angles P-C4'-P energy: -85.012 tors. eta vs tors. theta energy: 57.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3108.044095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.044095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.044095 (E_RNA) where: Base-Base interactions energy: -2137.586 where: short stacking energy: -875.094 Base-Backbone interact. energy: 2.568 local terms energy: -973.025584 where: bonds (distance) C4'-P energy: -172.129 bonds (distance) P-C4' energy: -171.769 flat angles C4'-P-C4' energy: -210.616 flat angles P-C4'-P energy: -153.694 tors. eta vs tors. theta energy: -264.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2875.537261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.537261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.537261 (E_RNA) where: Base-Base interactions energy: -1932.448 where: short stacking energy: -836.531 Base-Backbone interact. energy: -3.156 local terms energy: -939.932494 where: bonds (distance) C4'-P energy: -175.172 bonds (distance) P-C4' energy: -175.900 flat angles C4'-P-C4' energy: -209.107 flat angles P-C4'-P energy: -133.730 tors. eta vs tors. theta energy: -246.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2748.891581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.891581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.891581 (E_RNA) where: Base-Base interactions energy: -1880.154 where: short stacking energy: -730.630 Base-Backbone interact. energy: 2.041 local terms energy: -870.778843 where: bonds (distance) C4'-P energy: -173.079 bonds (distance) P-C4' energy: -163.173 flat angles C4'-P-C4' energy: -179.698 flat angles P-C4'-P energy: -132.977 tors. eta vs tors. theta energy: -221.851 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: 10 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2696.995771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.995771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.995771 (E_RNA) where: Base-Base interactions energy: -1832.588 where: short stacking energy: -779.596 Base-Backbone interact. energy: -3.896 local terms energy: -860.512319 where: bonds (distance) C4'-P energy: -152.794 bonds (distance) P-C4' energy: -171.209 flat angles C4'-P-C4' energy: -185.442 flat angles P-C4'-P energy: -124.902 tors. eta vs tors. theta energy: -226.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2343.298235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.298235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.298235 (E_RNA) where: Base-Base interactions energy: -1521.747 where: short stacking energy: -693.494 Base-Backbone interact. energy: 0.140 local terms energy: -821.690802 where: bonds (distance) C4'-P energy: -152.309 bonds (distance) P-C4' energy: -171.500 flat angles C4'-P-C4' energy: -202.168 flat angles P-C4'-P energy: -113.221 tors. eta vs tors. theta energy: -182.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2098.049981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.049981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.049981 (E_RNA) where: Base-Base interactions energy: -1350.853 where: short stacking energy: -597.154 Base-Backbone interact. energy: -3.069 local terms energy: -744.128677 where: bonds (distance) C4'-P energy: -149.549 bonds (distance) P-C4' energy: -172.482 flat angles C4'-P-C4' energy: -162.200 flat angles P-C4'-P energy: -114.619 tors. eta vs tors. theta energy: -145.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1671.954865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.954865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.954865 (E_RNA) where: Base-Base interactions energy: -1029.671 where: short stacking energy: -463.687 Base-Backbone interact. energy: -3.571 local terms energy: -638.712946 where: bonds (distance) C4'-P energy: -145.723 bonds (distance) P-C4' energy: -160.266 flat angles C4'-P-C4' energy: -139.178 flat angles P-C4'-P energy: -106.154 tors. eta vs tors. theta energy: -87.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1111.997193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.997193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.997193 (E_RNA) where: Base-Base interactions energy: -565.364 where: short stacking energy: -312.178 Base-Backbone interact. energy: -3.808 local terms energy: -542.824904 where: bonds (distance) C4'-P energy: -146.009 bonds (distance) P-C4' energy: -146.325 flat angles C4'-P-C4' energy: -133.780 flat angles P-C4'-P energy: -79.343 tors. eta vs tors. theta energy: -37.369 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: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -863.411184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.411184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.411184 (E_RNA) where: Base-Base interactions energy: -359.993 where: short stacking energy: -248.727 Base-Backbone interact. energy: 2.751 local terms energy: -506.169140 where: bonds (distance) C4'-P energy: -149.631 bonds (distance) P-C4' energy: -159.097 flat angles C4'-P-C4' energy: -116.997 flat angles P-C4'-P energy: -78.107 tors. eta vs tors. theta energy: -2.337 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: 8 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -699.591446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.591446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.591446 (E_RNA) where: Base-Base interactions energy: -251.154 where: short stacking energy: -193.608 Base-Backbone interact. energy: 10.673 local terms energy: -459.110240 where: bonds (distance) C4'-P energy: -156.386 bonds (distance) P-C4' energy: -144.754 flat angles C4'-P-C4' energy: -118.470 flat angles P-C4'-P energy: -72.420 tors. eta vs tors. theta energy: 32.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3105.671159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.671159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.671159 (E_RNA) where: Base-Base interactions energy: -2114.436 where: short stacking energy: -884.702 Base-Backbone interact. energy: -3.958 local terms energy: -987.277575 where: bonds (distance) C4'-P energy: -183.196 bonds (distance) P-C4' energy: -176.322 flat angles C4'-P-C4' energy: -204.263 flat angles P-C4'-P energy: -154.747 tors. eta vs tors. theta energy: -268.750 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: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2909.113344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.113344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.113344 (E_RNA) where: Base-Base interactions energy: -1963.446 where: short stacking energy: -825.416 Base-Backbone interact. energy: -3.349 local terms energy: -942.319259 where: bonds (distance) C4'-P energy: -164.523 bonds (distance) P-C4' energy: -174.644 flat angles C4'-P-C4' energy: -203.374 flat angles P-C4'-P energy: -142.156 tors. eta vs tors. theta energy: -257.623 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: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2731.571921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.571921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.571921 (E_RNA) where: Base-Base interactions energy: -1831.077 where: short stacking energy: -780.595 Base-Backbone interact. energy: -2.122 local terms energy: -898.373483 where: bonds (distance) C4'-P energy: -162.250 bonds (distance) P-C4' energy: -170.968 flat angles C4'-P-C4' energy: -201.945 flat angles P-C4'-P energy: -124.128 tors. eta vs tors. theta energy: -239.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2734.073554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.073554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.073554 (E_RNA) where: Base-Base interactions energy: -1870.185 where: short stacking energy: -758.768 Base-Backbone interact. energy: 3.221 local terms energy: -867.110183 where: bonds (distance) C4'-P energy: -165.863 bonds (distance) P-C4' energy: -167.605 flat angles C4'-P-C4' energy: -196.314 flat angles P-C4'-P energy: -116.056 tors. eta vs tors. theta energy: -221.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2451.547016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.547016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.547016 (E_RNA) where: Base-Base interactions energy: -1625.872 where: short stacking energy: -674.075 Base-Backbone interact. energy: -4.571 local terms energy: -821.104092 where: bonds (distance) C4'-P energy: -172.821 bonds (distance) P-C4' energy: -162.140 flat angles C4'-P-C4' energy: -166.066 flat angles P-C4'-P energy: -118.730 tors. eta vs tors. theta energy: -201.347 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: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2148.186591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.186591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.186591 (E_RNA) where: Base-Base interactions energy: -1422.717 where: short stacking energy: -615.205 Base-Backbone interact. energy: -1.624 local terms energy: -723.845467 where: bonds (distance) C4'-P energy: -147.189 bonds (distance) P-C4' energy: -128.618 flat angles C4'-P-C4' energy: -178.463 flat angles P-C4'-P energy: -101.169 tors. eta vs tors. theta energy: -168.407 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: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1646.238364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.238364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.238364 (E_RNA) where: Base-Base interactions energy: -1016.801 where: short stacking energy: -459.682 Base-Backbone interact. energy: -4.063 local terms energy: -625.374472 where: bonds (distance) C4'-P energy: -130.620 bonds (distance) P-C4' energy: -184.958 flat angles C4'-P-C4' energy: -147.705 flat angles P-C4'-P energy: -77.886 tors. eta vs tors. theta energy: -84.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1154.479814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.479814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.479814 (E_RNA) where: Base-Base interactions energy: -612.147 where: short stacking energy: -313.540 Base-Backbone interact. energy: -2.716 local terms energy: -539.617355 where: bonds (distance) C4'-P energy: -128.547 bonds (distance) P-C4' energy: -169.947 flat angles C4'-P-C4' energy: -151.416 flat angles P-C4'-P energy: -81.512 tors. eta vs tors. theta energy: -8.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -805.526264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.526264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.526264 (E_RNA) where: Base-Base interactions energy: -335.656 where: short stacking energy: -199.788 Base-Backbone interact. energy: 2.370 local terms energy: -472.239766 where: bonds (distance) C4'-P energy: -120.673 bonds (distance) P-C4' energy: -162.299 flat angles C4'-P-C4' energy: -140.478 flat angles P-C4'-P energy: -79.652 tors. eta vs tors. theta energy: 30.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -627.582882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.582882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.582882 (E_RNA) where: Base-Base interactions energy: -199.493 where: short stacking energy: -158.157 Base-Backbone interact. energy: -1.400 local terms energy: -426.690053 where: bonds (distance) C4'-P energy: -120.834 bonds (distance) P-C4' energy: -151.146 flat angles C4'-P-C4' energy: -131.710 flat angles P-C4'-P energy: -68.132 tors. eta vs tors. theta energy: 45.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3121.386424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.386424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.386424 (E_RNA) where: Base-Base interactions energy: -2158.974 where: short stacking energy: -871.004 Base-Backbone interact. energy: -2.340 local terms energy: -960.072232 where: bonds (distance) C4'-P energy: -184.225 bonds (distance) P-C4' energy: -182.022 flat angles C4'-P-C4' energy: -197.827 flat angles P-C4'-P energy: -138.895 tors. eta vs tors. theta energy: -257.104 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: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2892.226278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.226278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.226278 (E_RNA) where: Base-Base interactions energy: -1968.692 where: short stacking energy: -818.925 Base-Backbone interact. energy: 1.332 local terms energy: -924.866339 where: bonds (distance) C4'-P energy: -169.573 bonds (distance) P-C4' energy: -176.331 flat angles C4'-P-C4' energy: -200.089 flat angles P-C4'-P energy: -141.088 tors. eta vs tors. theta energy: -237.785 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: 6 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2765.826624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.826624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.826624 (E_RNA) where: Base-Base interactions energy: -1870.428 where: short stacking energy: -764.526 Base-Backbone interact. energy: 0.102 local terms energy: -895.500553 where: bonds (distance) C4'-P energy: -166.853 bonds (distance) P-C4' energy: -173.231 flat angles C4'-P-C4' energy: -184.407 flat angles P-C4'-P energy: -130.968 tors. eta vs tors. theta energy: -240.042 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: 10 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2658.193905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.193905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.193905 (E_RNA) where: Base-Base interactions energy: -1805.975 where: short stacking energy: -716.123 Base-Backbone interact. energy: -3.847 local terms energy: -848.371822 where: bonds (distance) C4'-P energy: -148.454 bonds (distance) P-C4' energy: -181.767 flat angles C4'-P-C4' energy: -192.655 flat angles P-C4'-P energy: -119.540 tors. eta vs tors. theta energy: -205.956 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: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2328.273403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.273403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.273403 (E_RNA) where: Base-Base interactions energy: -1516.288 where: short stacking energy: -656.616 Base-Backbone interact. energy: -1.994 local terms energy: -809.991569 where: bonds (distance) C4'-P energy: -160.846 bonds (distance) P-C4' energy: -155.661 flat angles C4'-P-C4' energy: -185.587 flat angles P-C4'-P energy: -125.750 tors. eta vs tors. theta energy: -182.147 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2127.738468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.738468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.738468 (E_RNA) where: Base-Base interactions energy: -1395.390 where: short stacking energy: -590.832 Base-Backbone interact. energy: -6.278 local terms energy: -726.070337 where: bonds (distance) C4'-P energy: -160.458 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -161.069 flat angles P-C4'-P energy: -100.655 tors. eta vs tors. theta energy: -165.495 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: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1708.691613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.691613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.691613 (E_RNA) where: Base-Base interactions energy: -1037.142 where: short stacking energy: -463.580 Base-Backbone interact. energy: 2.489 local terms energy: -674.038508 where: bonds (distance) C4'-P energy: -155.731 bonds (distance) P-C4' energy: -153.626 flat angles C4'-P-C4' energy: -155.998 flat angles P-C4'-P energy: -110.150 tors. eta vs tors. theta energy: -98.534 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: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1109.221586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.221586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.221586 (E_RNA) where: Base-Base interactions energy: -597.173 where: short stacking energy: -313.939 Base-Backbone interact. energy: -3.739 local terms energy: -508.308741 where: bonds (distance) C4'-P energy: -154.466 bonds (distance) P-C4' energy: -150.468 flat angles C4'-P-C4' energy: -128.566 flat angles P-C4'-P energy: -72.295 tors. eta vs tors. theta energy: -2.514 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: 5 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -819.231102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.231102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.231102 (E_RNA) where: Base-Base interactions energy: -336.493 where: short stacking energy: -223.596 Base-Backbone interact. energy: 5.750 local terms energy: -488.488026 where: bonds (distance) C4'-P energy: -157.020 bonds (distance) P-C4' energy: -156.208 flat angles C4'-P-C4' energy: -141.465 flat angles P-C4'-P energy: -71.613 tors. eta vs tors. theta energy: 37.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -630.108140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.108140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.108140 (E_RNA) where: Base-Base interactions energy: -196.125 where: short stacking energy: -144.672 Base-Backbone interact. energy: 4.295 local terms energy: -438.278204 where: bonds (distance) C4'-P energy: -141.217 bonds (distance) P-C4' energy: -144.872 flat angles C4'-P-C4' energy: -125.785 flat angles P-C4'-P energy: -83.118 tors. eta vs tors. theta energy: 56.714 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: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3132.993017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.993017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.993017 (E_RNA) where: Base-Base interactions energy: -2157.850 where: short stacking energy: -906.513 Base-Backbone interact. energy: -3.091 local terms energy: -972.051755 where: bonds (distance) C4'-P energy: -190.840 bonds (distance) P-C4' energy: -166.054 flat angles C4'-P-C4' energy: -203.963 flat angles P-C4'-P energy: -142.511 tors. eta vs tors. theta energy: -268.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2893.398069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.398069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.398069 (E_RNA) where: Base-Base interactions energy: -1945.209 where: short stacking energy: -777.752 Base-Backbone interact. energy: -1.191 local terms energy: -946.997900 where: bonds (distance) C4'-P energy: -190.607 bonds (distance) P-C4' energy: -196.924 flat angles C4'-P-C4' energy: -198.069 flat angles P-C4'-P energy: -118.814 tors. eta vs tors. theta energy: -242.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2824.743845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.743845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.743845 (E_RNA) where: Base-Base interactions energy: -1907.079 where: short stacking energy: -771.548 Base-Backbone interact. energy: -4.877 local terms energy: -912.787872 where: bonds (distance) C4'-P energy: -170.351 bonds (distance) P-C4' energy: -161.203 flat angles C4'-P-C4' energy: -202.977 flat angles P-C4'-P energy: -137.741 tors. eta vs tors. theta energy: -240.516 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: 4, replica: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2717.379046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.379046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.379046 (E_RNA) where: Base-Base interactions energy: -1831.791 where: short stacking energy: -780.785 Base-Backbone interact. energy: -1.258 local terms energy: -884.329580 where: bonds (distance) C4'-P energy: -176.953 bonds (distance) P-C4' energy: -167.440 flat angles C4'-P-C4' energy: -195.153 flat angles P-C4'-P energy: -119.455 tors. eta vs tors. theta energy: -225.327 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: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2272.665093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.665093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.665093 (E_RNA) where: Base-Base interactions energy: -1499.983 where: short stacking energy: -617.017 Base-Backbone interact. energy: 4.021 local terms energy: -776.702839 where: bonds (distance) C4'-P energy: -163.508 bonds (distance) P-C4' energy: -147.024 flat angles C4'-P-C4' energy: -173.119 flat angles P-C4'-P energy: -123.626 tors. eta vs tors. theta energy: -169.425 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: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2194.072771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.072771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.072771 (E_RNA) where: Base-Base interactions energy: -1419.983 where: short stacking energy: -629.215 Base-Backbone interact. energy: -5.250 local terms energy: -768.839720 where: bonds (distance) C4'-P energy: -151.125 bonds (distance) P-C4' energy: -154.007 flat angles C4'-P-C4' energy: -177.925 flat angles P-C4'-P energy: -113.827 tors. eta vs tors. theta energy: -171.956 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1722.480805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.480805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.480805 (E_RNA) where: Base-Base interactions energy: -1070.491 where: short stacking energy: -479.213 Base-Backbone interact. energy: -0.785 local terms energy: -651.204592 where: bonds (distance) C4'-P energy: -152.338 bonds (distance) P-C4' energy: -143.478 flat angles C4'-P-C4' energy: -135.195 flat angles P-C4'-P energy: -118.632 tors. eta vs tors. theta energy: -101.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1126.577997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.577997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.577997 (E_RNA) where: Base-Base interactions energy: -554.429 where: short stacking energy: -310.370 Base-Backbone interact. energy: -1.749 local terms energy: -570.399618 where: bonds (distance) C4'-P energy: -160.155 bonds (distance) P-C4' energy: -152.044 flat angles C4'-P-C4' energy: -148.984 flat angles P-C4'-P energy: -70.211 tors. eta vs tors. theta energy: -39.005 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: 5 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -788.061079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.061079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.061079 (E_RNA) where: Base-Base interactions energy: -352.277 where: short stacking energy: -228.678 Base-Backbone interact. energy: 5.265 local terms energy: -441.049870 where: bonds (distance) C4'-P energy: -136.838 bonds (distance) P-C4' energy: -136.145 flat angles C4'-P-C4' energy: -120.313 flat angles P-C4'-P energy: -65.346 tors. eta vs tors. theta energy: 17.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -654.381855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.381855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.381855 (E_RNA) where: Base-Base interactions energy: -214.356 where: short stacking energy: -167.637 Base-Backbone interact. energy: -4.731 local terms energy: -435.294599 where: bonds (distance) C4'-P energy: -139.496 bonds (distance) P-C4' energy: -150.756 flat angles C4'-P-C4' energy: -123.420 flat angles P-C4'-P energy: -58.021 tors. eta vs tors. theta energy: 36.399 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: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3088.909812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.909812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.909812 (E_RNA) where: Base-Base interactions energy: -2124.875 where: short stacking energy: -888.022 Base-Backbone interact. energy: -4.661 local terms energy: -959.374242 where: bonds (distance) C4'-P energy: -193.963 bonds (distance) P-C4' energy: -173.664 flat angles C4'-P-C4' energy: -200.293 flat angles P-C4'-P energy: -129.871 tors. eta vs tors. theta energy: -261.583 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: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2956.055961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.055961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.055961 (E_RNA) where: Base-Base interactions energy: -2008.328 where: short stacking energy: -804.725 Base-Backbone interact. energy: -6.655 local terms energy: -941.073034 where: bonds (distance) C4'-P energy: -185.918 bonds (distance) P-C4' energy: -182.157 flat angles C4'-P-C4' energy: -202.228 flat angles P-C4'-P energy: -130.040 tors. eta vs tors. theta energy: -240.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2838.186711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.186711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.186711 (E_RNA) where: Base-Base interactions energy: -1931.565 where: short stacking energy: -795.851 Base-Backbone interact. energy: -3.195 local terms energy: -903.427600 where: bonds (distance) C4'-P energy: -173.101 bonds (distance) P-C4' energy: -178.530 flat angles C4'-P-C4' energy: -196.467 flat angles P-C4'-P energy: -118.967 tors. eta vs tors. theta energy: -236.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2786.242977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.242977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.242977 (E_RNA) where: Base-Base interactions energy: -1913.601 where: short stacking energy: -780.300 Base-Backbone interact. energy: 0.361 local terms energy: -873.002560 where: bonds (distance) C4'-P energy: -163.282 bonds (distance) P-C4' energy: -176.075 flat angles C4'-P-C4' energy: -193.946 flat angles P-C4'-P energy: -117.295 tors. eta vs tors. theta energy: -222.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2330.334187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.334187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.334187 (E_RNA) where: Base-Base interactions energy: -1491.618 where: short stacking energy: -660.351 Base-Backbone interact. energy: -0.101 local terms energy: -838.614741 where: bonds (distance) C4'-P energy: -161.482 bonds (distance) P-C4' energy: -179.188 flat angles C4'-P-C4' energy: -181.765 flat angles P-C4'-P energy: -114.148 tors. eta vs tors. theta energy: -202.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2151.218979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.218979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.218979 (E_RNA) where: Base-Base interactions energy: -1409.208 where: short stacking energy: -627.227 Base-Backbone interact. energy: 2.990 local terms energy: -745.000693 where: bonds (distance) C4'-P energy: -145.615 bonds (distance) P-C4' energy: -161.108 flat angles C4'-P-C4' energy: -184.744 flat angles P-C4'-P energy: -105.170 tors. eta vs tors. theta energy: -148.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1721.047343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.047343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.047343 (E_RNA) where: Base-Base interactions energy: -1082.238 where: short stacking energy: -488.303 Base-Backbone interact. energy: -3.851 local terms energy: -634.958508 where: bonds (distance) C4'-P energy: -136.872 bonds (distance) P-C4' energy: -152.323 flat angles C4'-P-C4' energy: -157.362 flat angles P-C4'-P energy: -89.121 tors. eta vs tors. theta energy: -99.282 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: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1144.609719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.609719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.609719 (E_RNA) where: Base-Base interactions energy: -618.677 where: short stacking energy: -313.812 Base-Backbone interact. energy: -0.908 local terms energy: -525.025361 where: bonds (distance) C4'-P energy: -151.559 bonds (distance) P-C4' energy: -150.316 flat angles C4'-P-C4' energy: -148.709 flat angles P-C4'-P energy: -63.889 tors. eta vs tors. theta energy: -10.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -855.127621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.127621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.127621 (E_RNA) where: Base-Base interactions energy: -378.484 where: short stacking energy: -245.784 Base-Backbone interact. energy: -1.617 local terms energy: -475.026016 where: bonds (distance) C4'-P energy: -134.470 bonds (distance) P-C4' energy: -155.066 flat angles C4'-P-C4' energy: -132.129 flat angles P-C4'-P energy: -66.887 tors. eta vs tors. theta energy: 13.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -631.895544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.895544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.895544 (E_RNA) where: Base-Base interactions energy: -208.717 where: short stacking energy: -172.558 Base-Backbone interact. energy: -2.071 local terms energy: -421.106853 where: bonds (distance) C4'-P energy: -143.500 bonds (distance) P-C4' energy: -136.739 flat angles C4'-P-C4' energy: -128.363 flat angles P-C4'-P energy: -65.210 tors. eta vs tors. theta energy: 52.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3078.657611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.657611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.657611 (E_RNA) where: Base-Base interactions energy: -2111.141 where: short stacking energy: -881.910 Base-Backbone interact. energy: -6.350 local terms energy: -961.166749 where: bonds (distance) C4'-P energy: -186.081 bonds (distance) P-C4' energy: -177.537 flat angles C4'-P-C4' energy: -201.196 flat angles P-C4'-P energy: -135.021 tors. eta vs tors. theta energy: -261.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2964.104694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.104694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.104694 (E_RNA) where: Base-Base interactions energy: -2022.505 where: short stacking energy: -832.036 Base-Backbone interact. energy: -4.926 local terms energy: -936.674483 where: bonds (distance) C4'-P energy: -181.901 bonds (distance) P-C4' energy: -176.856 flat angles C4'-P-C4' energy: -197.858 flat angles P-C4'-P energy: -134.129 tors. eta vs tors. theta energy: -245.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2823.329712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.329712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.329712 (E_RNA) where: Base-Base interactions energy: -1910.447 where: short stacking energy: -807.866 Base-Backbone interact. energy: -2.988 local terms energy: -909.894357 where: bonds (distance) C4'-P energy: -179.950 bonds (distance) P-C4' energy: -165.930 flat angles C4'-P-C4' energy: -209.800 flat angles P-C4'-P energy: -127.947 tors. eta vs tors. theta energy: -226.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2702.287317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.287317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.287317 (E_RNA) where: Base-Base interactions energy: -1867.161 where: short stacking energy: -760.193 Base-Backbone interact. energy: 3.194 local terms energy: -838.320704 where: bonds (distance) C4'-P energy: -146.808 bonds (distance) P-C4' energy: -167.307 flat angles C4'-P-C4' energy: -184.071 flat angles P-C4'-P energy: -122.415 tors. eta vs tors. theta energy: -217.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2374.778369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.778369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.778369 (E_RNA) where: Base-Base interactions energy: -1546.286 where: short stacking energy: -715.655 Base-Backbone interact. energy: -2.253 local terms energy: -826.239545 where: bonds (distance) C4'-P energy: -157.496 bonds (distance) P-C4' energy: -153.411 flat angles C4'-P-C4' energy: -178.510 flat angles P-C4'-P energy: -118.722 tors. eta vs tors. theta energy: -218.102 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: 6, replica: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2165.058612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.058612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.058612 (E_RNA) where: Base-Base interactions energy: -1445.157 where: short stacking energy: -596.679 Base-Backbone interact. energy: -0.024 local terms energy: -719.877972 where: bonds (distance) C4'-P energy: -159.278 bonds (distance) P-C4' energy: -148.869 flat angles C4'-P-C4' energy: -157.503 flat angles P-C4'-P energy: -101.513 tors. eta vs tors. theta energy: -152.715 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: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1748.056411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.056411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.056411 (E_RNA) where: Base-Base interactions energy: -1097.377 where: short stacking energy: -486.465 Base-Backbone interact. energy: 0.262 local terms energy: -650.941539 where: bonds (distance) C4'-P energy: -150.453 bonds (distance) P-C4' energy: -149.697 flat angles C4'-P-C4' energy: -150.849 flat angles P-C4'-P energy: -112.716 tors. eta vs tors. theta energy: -87.227 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: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1128.479550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.479550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.479550 (E_RNA) where: Base-Base interactions energy: -596.901 where: short stacking energy: -313.953 Base-Backbone interact. energy: 7.985 local terms energy: -539.563993 where: bonds (distance) C4'-P energy: -134.039 bonds (distance) P-C4' energy: -173.564 flat angles C4'-P-C4' energy: -134.993 flat angles P-C4'-P energy: -88.275 tors. eta vs tors. theta energy: -8.693 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: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -873.484561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.484561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.484561 (E_RNA) where: Base-Base interactions energy: -381.223 where: short stacking energy: -203.789 Base-Backbone interact. energy: -1.884 local terms energy: -490.377442 where: bonds (distance) C4'-P energy: -131.204 bonds (distance) P-C4' energy: -143.611 flat angles C4'-P-C4' energy: -132.398 flat angles P-C4'-P energy: -96.081 tors. eta vs tors. theta energy: 12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -642.284280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.284280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.284280 (E_RNA) where: Base-Base interactions energy: -210.173 where: short stacking energy: -171.424 Base-Backbone interact. energy: 10.003 local terms energy: -442.114507 where: bonds (distance) C4'-P energy: -139.374 bonds (distance) P-C4' energy: -166.415 flat angles C4'-P-C4' energy: -116.831 flat angles P-C4'-P energy: -61.377 tors. eta vs tors. theta energy: 41.882 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: 7 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3096.225275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.225275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.225275 (E_RNA) where: Base-Base interactions energy: -2127.369 where: short stacking energy: -901.921 Base-Backbone interact. energy: -8.280 local terms energy: -960.576887 where: bonds (distance) C4'-P energy: -169.594 bonds (distance) P-C4' energy: -184.770 flat angles C4'-P-C4' energy: -199.069 flat angles P-C4'-P energy: -140.267 tors. eta vs tors. theta energy: -266.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2967.429497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.429497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.429497 (E_RNA) where: Base-Base interactions energy: -2005.348 where: short stacking energy: -815.129 Base-Backbone interact. energy: -4.924 local terms energy: -957.158115 where: bonds (distance) C4'-P energy: -187.159 bonds (distance) P-C4' energy: -186.716 flat angles C4'-P-C4' energy: -193.769 flat angles P-C4'-P energy: -140.578 tors. eta vs tors. theta energy: -248.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2797.675146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.675146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.675146 (E_RNA) where: Base-Base interactions energy: -1908.570 where: short stacking energy: -793.187 Base-Backbone interact. energy: -4.002 local terms energy: -885.102665 where: bonds (distance) C4'-P energy: -152.537 bonds (distance) P-C4' energy: -168.932 flat angles C4'-P-C4' energy: -203.835 flat angles P-C4'-P energy: -128.800 tors. eta vs tors. theta energy: -230.999 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: 417 Temperature: 1.050000 Total energy: -2728.167515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.167515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.167515 (E_RNA) where: Base-Base interactions energy: -1884.625 where: short stacking energy: -757.947 Base-Backbone interact. energy: 0.016 local terms energy: -843.558250 where: bonds (distance) C4'-P energy: -159.020 bonds (distance) P-C4' energy: -147.236 flat angles C4'-P-C4' energy: -197.757 flat angles P-C4'-P energy: -114.248 tors. eta vs tors. theta energy: -225.298 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: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2307.487118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.487118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.487118 (E_RNA) where: Base-Base interactions energy: -1525.524 where: short stacking energy: -650.774 Base-Backbone interact. energy: -1.329 local terms energy: -780.634078 where: bonds (distance) C4'-P energy: -141.018 bonds (distance) P-C4' energy: -189.066 flat angles C4'-P-C4' energy: -159.928 flat angles P-C4'-P energy: -112.892 tors. eta vs tors. theta energy: -177.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2171.321780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.321780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.321780 (E_RNA) where: Base-Base interactions energy: -1427.865 where: short stacking energy: -606.426 Base-Backbone interact. energy: -0.229 local terms energy: -743.228357 where: bonds (distance) C4'-P energy: -150.787 bonds (distance) P-C4' energy: -173.500 flat angles C4'-P-C4' energy: -162.931 flat angles P-C4'-P energy: -96.164 tors. eta vs tors. theta energy: -159.847 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: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1754.681222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.681222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.681222 (E_RNA) where: Base-Base interactions energy: -1093.774 where: short stacking energy: -494.709 Base-Backbone interact. energy: -2.672 local terms energy: -658.235395 where: bonds (distance) C4'-P energy: -140.426 bonds (distance) P-C4' energy: -142.232 flat angles C4'-P-C4' energy: -171.522 flat angles P-C4'-P energy: -105.147 tors. eta vs tors. theta energy: -98.909 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: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1156.681892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.681892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.681892 (E_RNA) where: Base-Base interactions energy: -593.073 where: short stacking energy: -316.546 Base-Backbone interact. energy: -0.119 local terms energy: -563.490803 where: bonds (distance) C4'-P energy: -148.451 bonds (distance) P-C4' energy: -170.939 flat angles C4'-P-C4' energy: -148.198 flat angles P-C4'-P energy: -78.808 tors. eta vs tors. theta energy: -17.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -931.495398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.495398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.495398 (E_RNA) where: Base-Base interactions energy: -449.756 where: short stacking energy: -245.133 Base-Backbone interact. energy: 6.751 local terms energy: -488.489585 where: bonds (distance) C4'-P energy: -149.097 bonds (distance) P-C4' energy: -137.459 flat angles C4'-P-C4' energy: -137.099 flat angles P-C4'-P energy: -73.265 tors. eta vs tors. theta energy: 8.430 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: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -649.433854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.433854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.433854 (E_RNA) where: Base-Base interactions energy: -210.265 where: short stacking energy: -143.323 Base-Backbone interact. energy: 10.098 local terms energy: -449.266783 where: bonds (distance) C4'-P energy: -142.167 bonds (distance) P-C4' energy: -161.713 flat angles C4'-P-C4' energy: -129.454 flat angles P-C4'-P energy: -78.449 tors. eta vs tors. theta energy: 62.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3075.267701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.267701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.267701 (E_RNA) where: Base-Base interactions energy: -2095.908 where: short stacking energy: -873.117 Base-Backbone interact. energy: -2.162 local terms energy: -977.198087 where: bonds (distance) C4'-P energy: -177.967 bonds (distance) P-C4' energy: -195.200 flat angles C4'-P-C4' energy: -205.032 flat angles P-C4'-P energy: -133.444 tors. eta vs tors. theta energy: -265.555 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: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -3016.423184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.423184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.423184 (E_RNA) where: Base-Base interactions energy: -2082.641 where: short stacking energy: -849.838 Base-Backbone interact. energy: 1.502 local terms energy: -935.284907 where: bonds (distance) C4'-P energy: -148.742 bonds (distance) P-C4' energy: -173.158 flat angles C4'-P-C4' energy: -215.083 flat angles P-C4'-P energy: -148.801 tors. eta vs tors. theta energy: -249.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2843.057149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.057149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.057149 (E_RNA) where: Base-Base interactions energy: -1935.545 where: short stacking energy: -838.267 Base-Backbone interact. energy: -2.606 local terms energy: -904.905738 where: bonds (distance) C4'-P energy: -180.295 bonds (distance) P-C4' energy: -162.860 flat angles C4'-P-C4' energy: -199.075 flat angles P-C4'-P energy: -132.710 tors. eta vs tors. theta energy: -229.966 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: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2683.054659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.054659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.054659 (E_RNA) where: Base-Base interactions energy: -1818.509 where: short stacking energy: -742.749 Base-Backbone interact. energy: 2.144 local terms energy: -866.689606 where: bonds (distance) C4'-P energy: -163.424 bonds (distance) P-C4' energy: -157.608 flat angles C4'-P-C4' energy: -192.895 flat angles P-C4'-P energy: -125.804 tors. eta vs tors. theta energy: -226.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2349.262485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.262485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.262485 (E_RNA) where: Base-Base interactions energy: -1514.056 where: short stacking energy: -667.656 Base-Backbone interact. energy: -0.620 local terms energy: -834.587123 where: bonds (distance) C4'-P energy: -176.288 bonds (distance) P-C4' energy: -159.064 flat angles C4'-P-C4' energy: -191.992 flat angles P-C4'-P energy: -122.520 tors. eta vs tors. theta energy: -184.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2143.222754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.222754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.222754 (E_RNA) where: Base-Base interactions energy: -1426.786 where: short stacking energy: -618.984 Base-Backbone interact. energy: 3.592 local terms energy: -720.029026 where: bonds (distance) C4'-P energy: -132.940 bonds (distance) P-C4' energy: -163.851 flat angles C4'-P-C4' energy: -177.830 flat angles P-C4'-P energy: -99.714 tors. eta vs tors. theta energy: -145.695 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: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1602.221575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.221575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.221575 (E_RNA) where: Base-Base interactions energy: -947.076 where: short stacking energy: -396.848 Base-Backbone interact. energy: -6.022 local terms energy: -649.123923 where: bonds (distance) C4'-P energy: -154.638 bonds (distance) P-C4' energy: -189.002 flat angles C4'-P-C4' energy: -162.519 flat angles P-C4'-P energy: -69.671 tors. eta vs tors. theta energy: -73.294 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: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1212.546337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.546337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.546337 (E_RNA) where: Base-Base interactions energy: -642.478 where: short stacking energy: -333.319 Base-Backbone interact. energy: -0.180 local terms energy: -569.888726 where: bonds (distance) C4'-P energy: -159.604 bonds (distance) P-C4' energy: -172.192 flat angles C4'-P-C4' energy: -140.267 flat angles P-C4'-P energy: -65.064 tors. eta vs tors. theta energy: -32.762 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: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -879.307255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.307255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.307255 (E_RNA) where: Base-Base interactions energy: -384.774 where: short stacking energy: -233.085 Base-Backbone interact. energy: 1.022 local terms energy: -495.556005 where: bonds (distance) C4'-P energy: -154.178 bonds (distance) P-C4' energy: -157.937 flat angles C4'-P-C4' energy: -135.071 flat angles P-C4'-P energy: -76.725 tors. eta vs tors. theta energy: 28.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -665.849084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.849084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.849084 (E_RNA) where: Base-Base interactions energy: -198.835 where: short stacking energy: -164.440 Base-Backbone interact. energy: 3.297 local terms energy: -470.311506 where: bonds (distance) C4'-P energy: -150.728 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -133.547 flat angles P-C4'-P energy: -75.853 tors. eta vs tors. theta energy: 24.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3100.499037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.499037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.499037 (E_RNA) where: Base-Base interactions energy: -2113.748 where: short stacking energy: -886.222 Base-Backbone interact. energy: 4.211 local terms energy: -990.962500 where: bonds (distance) C4'-P energy: -188.781 bonds (distance) P-C4' energy: -190.118 flat angles C4'-P-C4' energy: -212.098 flat angles P-C4'-P energy: -132.457 tors. eta vs tors. theta energy: -267.509 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: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2993.245045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.245045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.245045 (E_RNA) where: Base-Base interactions energy: -2035.254 where: short stacking energy: -814.524 Base-Backbone interact. energy: -8.501 local terms energy: -949.489969 where: bonds (distance) C4'-P energy: -179.126 bonds (distance) P-C4' energy: -195.280 flat angles C4'-P-C4' energy: -194.932 flat angles P-C4'-P energy: -125.751 tors. eta vs tors. theta energy: -254.400 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: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2814.592001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.592001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.592001 (E_RNA) where: Base-Base interactions energy: -1909.406 where: short stacking energy: -815.355 Base-Backbone interact. energy: -2.580 local terms energy: -902.606195 where: bonds (distance) C4'-P energy: -175.874 bonds (distance) P-C4' energy: -171.553 flat angles C4'-P-C4' energy: -200.130 flat angles P-C4'-P energy: -120.231 tors. eta vs tors. theta energy: -234.818 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: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2731.870562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.870562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.870562 (E_RNA) where: Base-Base interactions energy: -1858.637 where: short stacking energy: -775.060 Base-Backbone interact. energy: -1.130 local terms energy: -872.103575 where: bonds (distance) C4'-P energy: -157.399 bonds (distance) P-C4' energy: -174.465 flat angles C4'-P-C4' energy: -195.581 flat angles P-C4'-P energy: -124.043 tors. eta vs tors. theta energy: -220.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2352.177130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.177130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.177130 (E_RNA) where: Base-Base interactions energy: -1552.306 where: short stacking energy: -704.725 Base-Backbone interact. energy: 6.466 local terms energy: -806.336894 where: bonds (distance) C4'-P energy: -149.923 bonds (distance) P-C4' energy: -159.302 flat angles C4'-P-C4' energy: -188.868 flat angles P-C4'-P energy: -107.892 tors. eta vs tors. theta energy: -200.352 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: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2129.522530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.522530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.522530 (E_RNA) where: Base-Base interactions energy: -1379.935 where: short stacking energy: -586.383 Base-Backbone interact. energy: 1.222 local terms energy: -750.809415 where: bonds (distance) C4'-P energy: -175.214 bonds (distance) P-C4' energy: -145.516 flat angles C4'-P-C4' energy: -166.843 flat angles P-C4'-P energy: -115.638 tors. eta vs tors. theta energy: -147.598 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: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1616.992381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.992381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.992381 (E_RNA) where: Base-Base interactions energy: -949.967 where: short stacking energy: -417.113 Base-Backbone interact. energy: -3.284 local terms energy: -663.741410 where: bonds (distance) C4'-P energy: -173.673 bonds (distance) P-C4' energy: -150.810 flat angles C4'-P-C4' energy: -179.883 flat angles P-C4'-P energy: -84.115 tors. eta vs tors. theta energy: -75.261 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: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1222.185134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.185134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.185134 (E_RNA) where: Base-Base interactions energy: -643.948 where: short stacking energy: -339.283 Base-Backbone interact. energy: 2.078 local terms energy: -580.315024 where: bonds (distance) C4'-P energy: -143.733 bonds (distance) P-C4' energy: -159.675 flat angles C4'-P-C4' energy: -137.213 flat angles P-C4'-P energy: -105.784 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: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -879.825509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.825509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.825509 (E_RNA) where: Base-Base interactions energy: -376.462 where: short stacking energy: -229.960 Base-Backbone interact. energy: 0.513 local terms energy: -503.876155 where: bonds (distance) C4'-P energy: -162.476 bonds (distance) P-C4' energy: -159.658 flat angles C4'-P-C4' energy: -128.060 flat angles P-C4'-P energy: -60.913 tors. eta vs tors. theta energy: 7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -660.123136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.123136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.123136 (E_RNA) where: Base-Base interactions energy: -250.633 where: short stacking energy: -179.980 Base-Backbone interact. energy: -0.052 local terms energy: -409.437938 where: bonds (distance) C4'-P energy: -126.846 bonds (distance) P-C4' energy: -148.847 flat angles C4'-P-C4' energy: -110.366 flat angles P-C4'-P energy: -71.763 tors. eta vs tors. theta energy: 48.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3087.185275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.185275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.185275 (E_RNA) where: Base-Base interactions energy: -2105.274 where: short stacking energy: -871.624 Base-Backbone interact. energy: 2.724 local terms energy: -984.635376 where: bonds (distance) C4'-P energy: -174.589 bonds (distance) P-C4' energy: -192.978 flat angles C4'-P-C4' energy: -213.152 flat angles P-C4'-P energy: -142.276 tors. eta vs tors. theta energy: -261.641 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: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -3004.557471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.557471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.557471 (E_RNA) where: Base-Base interactions energy: -2050.225 where: short stacking energy: -853.680 Base-Backbone interact. energy: -2.130 local terms energy: -952.203172 where: bonds (distance) C4'-P energy: -174.326 bonds (distance) P-C4' energy: -177.350 flat angles C4'-P-C4' energy: -209.116 flat angles P-C4'-P energy: -135.007 tors. eta vs tors. theta energy: -256.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2813.192505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.192505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.192505 (E_RNA) where: Base-Base interactions energy: -1921.257 where: short stacking energy: -800.153 Base-Backbone interact. energy: -4.446 local terms energy: -887.489973 where: bonds (distance) C4'-P energy: -176.441 bonds (distance) P-C4' energy: -184.649 flat angles C4'-P-C4' energy: -195.169 flat angles P-C4'-P energy: -103.202 tors. eta vs tors. theta energy: -228.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2723.936288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.936288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.936288 (E_RNA) where: Base-Base interactions energy: -1852.537 where: short stacking energy: -781.782 Base-Backbone interact. energy: -1.267 local terms energy: -870.133067 where: bonds (distance) C4'-P energy: -153.710 bonds (distance) P-C4' energy: -182.977 flat angles C4'-P-C4' energy: -177.433 flat angles P-C4'-P energy: -118.387 tors. eta vs tors. theta energy: -237.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2428.987458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.987458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.987458 (E_RNA) where: Base-Base interactions energy: -1626.277 where: short stacking energy: -735.807 Base-Backbone interact. energy: 0.701 local terms energy: -803.411074 where: bonds (distance) C4'-P energy: -170.543 bonds (distance) P-C4' energy: -162.555 flat angles C4'-P-C4' energy: -167.353 flat angles P-C4'-P energy: -110.974 tors. eta vs tors. theta energy: -191.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2141.681103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.681103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.681103 (E_RNA) where: Base-Base interactions energy: -1396.979 where: short stacking energy: -591.599 Base-Backbone interact. energy: 2.645 local terms energy: -747.346253 where: bonds (distance) C4'-P energy: -159.769 bonds (distance) P-C4' energy: -161.134 flat angles C4'-P-C4' energy: -159.151 flat angles P-C4'-P energy: -122.269 tors. eta vs tors. theta energy: -145.023 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: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1659.300773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.300773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.300773 (E_RNA) where: Base-Base interactions energy: -1006.635 where: short stacking energy: -461.039 Base-Backbone interact. energy: 2.205 local terms energy: -654.871409 where: bonds (distance) C4'-P energy: -158.508 bonds (distance) P-C4' energy: -158.305 flat angles C4'-P-C4' energy: -144.383 flat angles P-C4'-P energy: -105.824 tors. eta vs tors. theta energy: -87.851 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: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1206.907972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.907972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.907972 (E_RNA) where: Base-Base interactions energy: -660.963 where: short stacking energy: -338.280 Base-Backbone interact. energy: 2.094 local terms energy: -548.039546 where: bonds (distance) C4'-P energy: -128.881 bonds (distance) P-C4' energy: -167.032 flat angles C4'-P-C4' energy: -142.366 flat angles P-C4'-P energy: -85.325 tors. eta vs tors. theta energy: -24.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -911.152336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.152336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.152336 (E_RNA) where: Base-Base interactions energy: -434.126 where: short stacking energy: -267.009 Base-Backbone interact. energy: -2.614 local terms energy: -474.412893 where: bonds (distance) C4'-P energy: -138.938 bonds (distance) P-C4' energy: -133.251 flat angles C4'-P-C4' energy: -149.553 flat angles P-C4'-P energy: -52.863 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -689.389044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.389044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.389044 (E_RNA) where: Base-Base interactions energy: -240.271 where: short stacking energy: -186.931 Base-Backbone interact. energy: 7.903 local terms energy: -457.021067 where: bonds (distance) C4'-P energy: -137.354 bonds (distance) P-C4' energy: -162.882 flat angles C4'-P-C4' energy: -117.707 flat angles P-C4'-P energy: -73.900 tors. eta vs tors. theta energy: 34.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3074.651698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.651698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.651698 (E_RNA) where: Base-Base interactions energy: -2114.718 where: short stacking energy: -871.043 Base-Backbone interact. energy: -4.319 local terms energy: -955.614883 where: bonds (distance) C4'-P energy: -153.380 bonds (distance) P-C4' energy: -171.877 flat angles C4'-P-C4' energy: -213.412 flat angles P-C4'-P energy: -148.464 tors. eta vs tors. theta energy: -268.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2976.043635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.043635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.043635 (E_RNA) where: Base-Base interactions energy: -2041.837 where: short stacking energy: -867.208 Base-Backbone interact. energy: -6.822 local terms energy: -927.384758 where: bonds (distance) C4'-P energy: -175.807 bonds (distance) P-C4' energy: -175.912 flat angles C4'-P-C4' energy: -180.490 flat angles P-C4'-P energy: -131.336 tors. eta vs tors. theta energy: -263.841 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: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2801.227056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.227056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.227056 (E_RNA) where: Base-Base interactions energy: -1881.639 where: short stacking energy: -767.374 Base-Backbone interact. energy: -6.919 local terms energy: -912.669602 where: bonds (distance) C4'-P energy: -163.626 bonds (distance) P-C4' energy: -200.524 flat angles C4'-P-C4' energy: -201.986 flat angles P-C4'-P energy: -124.235 tors. eta vs tors. theta energy: -222.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2710.259221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.259221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.259221 (E_RNA) where: Base-Base interactions energy: -1828.620 where: short stacking energy: -753.339 Base-Backbone interact. energy: -3.061 local terms energy: -878.578927 where: bonds (distance) C4'-P energy: -165.583 bonds (distance) P-C4' energy: -179.884 flat angles C4'-P-C4' energy: -199.477 flat angles P-C4'-P energy: -118.151 tors. eta vs tors. theta energy: -215.484 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: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2342.455607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.455607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.455607 (E_RNA) where: Base-Base interactions energy: -1532.843 where: short stacking energy: -676.263 Base-Backbone interact. energy: -4.413 local terms energy: -805.200275 where: bonds (distance) C4'-P energy: -154.181 bonds (distance) P-C4' energy: -178.046 flat angles C4'-P-C4' energy: -168.619 flat angles P-C4'-P energy: -110.555 tors. eta vs tors. theta energy: -193.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2176.338462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.338462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.338462 (E_RNA) where: Base-Base interactions energy: -1455.496 where: short stacking energy: -627.711 Base-Backbone interact. energy: 0.783 local terms energy: -721.625153 where: bonds (distance) C4'-P energy: -157.703 bonds (distance) P-C4' energy: -158.616 flat angles C4'-P-C4' energy: -162.713 flat angles P-C4'-P energy: -82.269 tors. eta vs tors. theta energy: -160.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1633.251371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.251371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.251371 (E_RNA) where: Base-Base interactions energy: -953.145 where: short stacking energy: -461.638 Base-Backbone interact. energy: 0.801 local terms energy: -680.907973 where: bonds (distance) C4'-P energy: -161.838 bonds (distance) P-C4' energy: -165.241 flat angles C4'-P-C4' energy: -160.786 flat angles P-C4'-P energy: -93.690 tors. eta vs tors. theta energy: -99.353 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: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1221.908098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.908098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.908098 (E_RNA) where: Base-Base interactions energy: -688.628 where: short stacking energy: -351.426 Base-Backbone interact. energy: 3.340 local terms energy: -536.620657 where: bonds (distance) C4'-P energy: -128.538 bonds (distance) P-C4' energy: -164.985 flat angles C4'-P-C4' energy: -143.061 flat angles P-C4'-P energy: -60.891 tors. eta vs tors. theta energy: -39.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -912.277413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.277413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.277413 (E_RNA) where: Base-Base interactions energy: -402.690 where: short stacking energy: -263.997 Base-Backbone interact. energy: -0.512 local terms energy: -509.075356 where: bonds (distance) C4'-P energy: -160.818 bonds (distance) P-C4' energy: -157.284 flat angles C4'-P-C4' energy: -116.940 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -646.062987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.062987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.062987 (E_RNA) where: Base-Base interactions energy: -211.121 where: short stacking energy: -165.337 Base-Backbone interact. energy: 4.587 local terms energy: -439.528790 where: bonds (distance) C4'-P energy: -154.937 bonds (distance) P-C4' energy: -135.127 flat angles C4'-P-C4' energy: -126.963 flat angles P-C4'-P energy: -74.080 tors. eta vs tors. theta energy: 51.578 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: 7 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3106.532752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.532752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.532752 (E_RNA) where: Base-Base interactions energy: -2144.638 where: short stacking energy: -907.618 Base-Backbone interact. energy: -2.621 local terms energy: -959.273333 where: bonds (distance) C4'-P energy: -168.438 bonds (distance) P-C4' energy: -174.179 flat angles C4'-P-C4' energy: -218.315 flat angles P-C4'-P energy: -125.089 tors. eta vs tors. theta energy: -273.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2959.135520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.135520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.135520 (E_RNA) where: Base-Base interactions energy: -2006.339 where: short stacking energy: -817.549 Base-Backbone interact. energy: -6.093 local terms energy: -946.702799 where: bonds (distance) C4'-P energy: -180.111 bonds (distance) P-C4' energy: -175.452 flat angles C4'-P-C4' energy: -209.154 flat angles P-C4'-P energy: -133.158 tors. eta vs tors. theta energy: -248.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2826.533355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.533355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.533355 (E_RNA) where: Base-Base interactions energy: -1928.049 where: short stacking energy: -773.381 Base-Backbone interact. energy: -6.001 local terms energy: -892.483422 where: bonds (distance) C4'-P energy: -179.860 bonds (distance) P-C4' energy: -166.406 flat angles C4'-P-C4' energy: -192.175 flat angles P-C4'-P energy: -127.607 tors. eta vs tors. theta energy: -226.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2769.486864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.486864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.486864 (E_RNA) where: Base-Base interactions energy: -1895.990 where: short stacking energy: -775.107 Base-Backbone interact. energy: 0.199 local terms energy: -873.695181 where: bonds (distance) C4'-P energy: -171.514 bonds (distance) P-C4' energy: -161.459 flat angles C4'-P-C4' energy: -193.107 flat angles P-C4'-P energy: -123.578 tors. eta vs tors. theta energy: -224.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2391.152479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.152479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.152479 (E_RNA) where: Base-Base interactions energy: -1569.579 where: short stacking energy: -683.177 Base-Backbone interact. energy: -1.740 local terms energy: -819.833797 where: bonds (distance) C4'-P energy: -159.273 bonds (distance) P-C4' energy: -173.727 flat angles C4'-P-C4' energy: -180.899 flat angles P-C4'-P energy: -109.754 tors. eta vs tors. theta energy: -196.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2162.020988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.020988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.020988 (E_RNA) where: Base-Base interactions energy: -1408.920 where: short stacking energy: -619.446 Base-Backbone interact. energy: -3.425 local terms energy: -749.676273 where: bonds (distance) C4'-P energy: -136.925 bonds (distance) P-C4' energy: -156.093 flat angles C4'-P-C4' energy: -171.357 flat angles P-C4'-P energy: -120.057 tors. eta vs tors. theta energy: -165.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1657.720367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.720367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.720367 (E_RNA) where: Base-Base interactions energy: -1002.855 where: short stacking energy: -437.619 Base-Backbone interact. energy: 0.340 local terms energy: -655.205685 where: bonds (distance) C4'-P energy: -163.149 bonds (distance) P-C4' energy: -176.529 flat angles C4'-P-C4' energy: -152.696 flat angles P-C4'-P energy: -76.599 tors. eta vs tors. theta energy: -86.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1255.011290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.011290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.011290 (E_RNA) where: Base-Base interactions energy: -700.806 where: short stacking energy: -388.599 Base-Backbone interact. energy: 3.516 local terms energy: -557.721567 where: bonds (distance) C4'-P energy: -131.577 bonds (distance) P-C4' energy: -148.870 flat angles C4'-P-C4' energy: -135.174 flat angles P-C4'-P energy: -96.505 tors. eta vs tors. theta energy: -45.597 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: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -876.540090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.540090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.540090 (E_RNA) where: Base-Base interactions energy: -356.812 where: short stacking energy: -218.209 Base-Backbone interact. energy: -1.548 local terms energy: -518.180230 where: bonds (distance) C4'-P energy: -129.938 bonds (distance) P-C4' energy: -149.728 flat angles C4'-P-C4' energy: -144.857 flat angles P-C4'-P energy: -88.785 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -691.878530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.878530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.878530 (E_RNA) where: Base-Base interactions energy: -217.274 where: short stacking energy: -189.569 Base-Backbone interact. energy: 2.624 local terms energy: -477.228856 where: bonds (distance) C4'-P energy: -138.046 bonds (distance) P-C4' energy: -157.210 flat angles C4'-P-C4' energy: -136.701 flat angles P-C4'-P energy: -76.305 tors. eta vs tors. theta energy: 31.033 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: 7 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3123.164160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.164160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.164160 (E_RNA) where: Base-Base interactions energy: -2151.132 where: short stacking energy: -872.753 Base-Backbone interact. energy: -3.579 local terms energy: -968.453970 where: bonds (distance) C4'-P energy: -166.085 bonds (distance) P-C4' energy: -182.094 flat angles C4'-P-C4' energy: -210.614 flat angles P-C4'-P energy: -140.661 tors. eta vs tors. theta energy: -269.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2952.240681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.240681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.240681 (E_RNA) where: Base-Base interactions energy: -2022.192 where: short stacking energy: -831.076 Base-Backbone interact. energy: -3.831 local terms energy: -926.217178 where: bonds (distance) C4'-P energy: -172.712 bonds (distance) P-C4' energy: -177.109 flat angles C4'-P-C4' energy: -204.977 flat angles P-C4'-P energy: -126.496 tors. eta vs tors. theta energy: -244.923 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: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2825.854436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.854436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.854436 (E_RNA) where: Base-Base interactions energy: -1918.499 where: short stacking energy: -814.787 Base-Backbone interact. energy: -3.581 local terms energy: -903.774464 where: bonds (distance) C4'-P energy: -174.447 bonds (distance) P-C4' energy: -193.653 flat angles C4'-P-C4' energy: -190.614 flat angles P-C4'-P energy: -123.234 tors. eta vs tors. theta energy: -221.827 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: 4, replica: 10 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2821.478626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.478626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.478626 (E_RNA) where: Base-Base interactions energy: -1930.226 where: short stacking energy: -793.140 Base-Backbone interact. energy: -4.623 local terms energy: -886.629922 where: bonds (distance) C4'-P energy: -146.116 bonds (distance) P-C4' energy: -182.089 flat angles C4'-P-C4' energy: -190.416 flat angles P-C4'-P energy: -131.576 tors. eta vs tors. theta energy: -236.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2364.414917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.414917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.414917 (E_RNA) where: Base-Base interactions energy: -1527.856 where: short stacking energy: -662.531 Base-Backbone interact. energy: 4.724 local terms energy: -841.282856 where: bonds (distance) C4'-P energy: -164.275 bonds (distance) P-C4' energy: -186.762 flat angles C4'-P-C4' energy: -170.719 flat angles P-C4'-P energy: -120.269 tors. eta vs tors. theta energy: -199.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2197.602185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.602185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.602185 (E_RNA) where: Base-Base interactions energy: -1446.913 where: short stacking energy: -625.216 Base-Backbone interact. energy: -2.557 local terms energy: -748.132150 where: bonds (distance) C4'-P energy: -162.367 bonds (distance) P-C4' energy: -164.630 flat angles C4'-P-C4' energy: -163.561 flat angles P-C4'-P energy: -79.416 tors. eta vs tors. theta energy: -178.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1705.890018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.890018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.890018 (E_RNA) where: Base-Base interactions energy: -1055.749 where: short stacking energy: -460.557 Base-Backbone interact. energy: 0.406 local terms energy: -650.547500 where: bonds (distance) C4'-P energy: -145.083 bonds (distance) P-C4' energy: -152.942 flat angles C4'-P-C4' energy: -163.549 flat angles P-C4'-P energy: -88.859 tors. eta vs tors. theta energy: -100.114 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: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1210.176100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.176100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.176100 (E_RNA) where: Base-Base interactions energy: -636.897 where: short stacking energy: -363.799 Base-Backbone interact. energy: 0.703 local terms energy: -573.982041 where: bonds (distance) C4'-P energy: -132.801 bonds (distance) P-C4' energy: -145.205 flat angles C4'-P-C4' energy: -149.595 flat angles P-C4'-P energy: -97.531 tors. eta vs tors. theta energy: -48.849 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: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -842.791269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.791269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.791269 (E_RNA) where: Base-Base interactions energy: -367.700 where: short stacking energy: -208.565 Base-Backbone interact. energy: -3.311 local terms energy: -471.781212 where: bonds (distance) C4'-P energy: -150.263 bonds (distance) P-C4' energy: -158.996 flat angles C4'-P-C4' energy: -125.218 flat angles P-C4'-P energy: -87.913 tors. eta vs tors. theta energy: 50.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -667.455683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.455683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.455683 (E_RNA) where: Base-Base interactions energy: -209.755 where: short stacking energy: -176.930 Base-Backbone interact. energy: 3.776 local terms energy: -461.476710 where: bonds (distance) C4'-P energy: -137.981 bonds (distance) P-C4' energy: -147.516 flat angles C4'-P-C4' energy: -131.149 flat angles P-C4'-P energy: -84.737 tors. eta vs tors. theta energy: 39.906 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: 1, replica: 7 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3116.296937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.296937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.296937 (E_RNA) where: Base-Base interactions energy: -2153.097 where: short stacking energy: -884.781 Base-Backbone interact. energy: -1.911 local terms energy: -961.289723 where: bonds (distance) C4'-P energy: -187.292 bonds (distance) P-C4' energy: -185.383 flat angles C4'-P-C4' energy: -196.943 flat angles P-C4'-P energy: -137.467 tors. eta vs tors. theta energy: -254.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2992.032936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.032936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.032936 (E_RNA) where: Base-Base interactions energy: -2057.135 where: short stacking energy: -841.556 Base-Backbone interact. energy: -5.025 local terms energy: -929.872627 where: bonds (distance) C4'-P energy: -164.892 bonds (distance) P-C4' energy: -186.832 flat angles C4'-P-C4' energy: -198.495 flat angles P-C4'-P energy: -127.183 tors. eta vs tors. theta energy: -252.471 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: 3, replica: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2836.103824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.103824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.103824 (E_RNA) where: Base-Base interactions energy: -1911.338 where: short stacking energy: -787.376 Base-Backbone interact. energy: -1.214 local terms energy: -923.551731 where: bonds (distance) C4'-P energy: -180.866 bonds (distance) P-C4' energy: -160.838 flat angles C4'-P-C4' energy: -208.135 flat angles P-C4'-P energy: -140.003 tors. eta vs tors. theta energy: -233.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2710.047936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.047936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.047936 (E_RNA) where: Base-Base interactions energy: -1824.758 where: short stacking energy: -801.914 Base-Backbone interact. energy: -5.812 local terms energy: -879.477919 where: bonds (distance) C4'-P energy: -148.044 bonds (distance) P-C4' energy: -171.318 flat angles C4'-P-C4' energy: -191.193 flat angles P-C4'-P energy: -122.393 tors. eta vs tors. theta energy: -246.530 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: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2314.601785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.601785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.601785 (E_RNA) where: Base-Base interactions energy: -1531.909 where: short stacking energy: -695.428 Base-Backbone interact. energy: -1.466 local terms energy: -781.226375 where: bonds (distance) C4'-P energy: -143.197 bonds (distance) P-C4' energy: -152.633 flat angles C4'-P-C4' energy: -179.726 flat angles P-C4'-P energy: -115.596 tors. eta vs tors. theta energy: -190.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2229.748007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.748007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.748007 (E_RNA) where: Base-Base interactions energy: -1404.960 where: short stacking energy: -614.572 Base-Backbone interact. energy: -3.261 local terms energy: -821.527018 where: bonds (distance) C4'-P energy: -166.702 bonds (distance) P-C4' energy: -169.225 flat angles C4'-P-C4' energy: -182.525 flat angles P-C4'-P energy: -121.088 tors. eta vs tors. theta energy: -181.987 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: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1736.715553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.715553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.715553 (E_RNA) where: Base-Base interactions energy: -1062.965 where: short stacking energy: -481.807 Base-Backbone interact. energy: -1.770 local terms energy: -671.980463 where: bonds (distance) C4'-P energy: -153.138 bonds (distance) P-C4' energy: -150.094 flat angles C4'-P-C4' energy: -169.338 flat angles P-C4'-P energy: -111.790 tors. eta vs tors. theta energy: -87.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1305.007136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.007136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.007136 (E_RNA) where: Base-Base interactions energy: -751.213 where: short stacking energy: -356.149 Base-Backbone interact. energy: 7.036 local terms energy: -560.829842 where: bonds (distance) C4'-P energy: -133.815 bonds (distance) P-C4' energy: -148.752 flat angles C4'-P-C4' energy: -162.816 flat angles P-C4'-P energy: -70.279 tors. eta vs tors. theta energy: -45.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -910.048218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.048218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.048218 (E_RNA) where: Base-Base interactions energy: -414.993 where: short stacking energy: -236.374 Base-Backbone interact. energy: 7.978 local terms energy: -503.032650 where: bonds (distance) C4'-P energy: -146.528 bonds (distance) P-C4' energy: -138.448 flat angles C4'-P-C4' energy: -148.476 flat angles P-C4'-P energy: -74.823 tors. eta vs tors. theta energy: 5.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -654.826729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.826729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.826729 (E_RNA) where: Base-Base interactions energy: -223.282 where: short stacking energy: -166.409 Base-Backbone interact. energy: 11.509 local terms energy: -443.053951 where: bonds (distance) C4'-P energy: -141.224 bonds (distance) P-C4' energy: -140.233 flat angles C4'-P-C4' energy: -123.235 flat angles P-C4'-P energy: -73.831 tors. eta vs tors. theta energy: 35.469 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: 7 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3104.016305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.016305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.016305 (E_RNA) where: Base-Base interactions energy: -2127.118 where: short stacking energy: -878.741 Base-Backbone interact. energy: -4.211 local terms energy: -972.687442 where: bonds (distance) C4'-P energy: -178.905 bonds (distance) P-C4' energy: -180.140 flat angles C4'-P-C4' energy: -203.586 flat angles P-C4'-P energy: -140.776 tors. eta vs tors. theta energy: -269.280 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: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2969.078508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.078508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.078508 (E_RNA) where: Base-Base interactions energy: -2047.373 where: short stacking energy: -819.402 Base-Backbone interact. energy: -6.736 local terms energy: -914.969035 where: bonds (distance) C4'-P energy: -163.646 bonds (distance) P-C4' energy: -180.931 flat angles C4'-P-C4' energy: -201.982 flat angles P-C4'-P energy: -127.926 tors. eta vs tors. theta energy: -240.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2886.027296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.027296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.027296 (E_RNA) where: Base-Base interactions energy: -1954.111 where: short stacking energy: -828.803 Base-Backbone interact. energy: -4.960 local terms energy: -926.956210 where: bonds (distance) C4'-P energy: -171.801 bonds (distance) P-C4' energy: -180.872 flat angles C4'-P-C4' energy: -195.326 flat angles P-C4'-P energy: -138.246 tors. eta vs tors. theta energy: -240.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2710.231847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.231847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.231847 (E_RNA) where: Base-Base interactions energy: -1851.467 where: short stacking energy: -768.729 Base-Backbone interact. energy: -1.766 local terms energy: -856.999149 where: bonds (distance) C4'-P energy: -156.838 bonds (distance) P-C4' energy: -170.616 flat angles C4'-P-C4' energy: -191.022 flat angles P-C4'-P energy: -121.464 tors. eta vs tors. theta energy: -217.059 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: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2341.984007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.984007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.984007 (E_RNA) where: Base-Base interactions energy: -1540.327 where: short stacking energy: -679.149 Base-Backbone interact. energy: 1.536 local terms energy: -803.193303 where: bonds (distance) C4'-P energy: -159.113 bonds (distance) P-C4' energy: -160.859 flat angles C4'-P-C4' energy: -175.250 flat angles P-C4'-P energy: -117.297 tors. eta vs tors. theta energy: -190.674 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: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2236.848541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.848541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.848541 (E_RNA) where: Base-Base interactions energy: -1467.965 where: short stacking energy: -642.843 Base-Backbone interact. energy: 6.192 local terms energy: -775.075468 where: bonds (distance) C4'-P energy: -158.357 bonds (distance) P-C4' energy: -159.686 flat angles C4'-P-C4' energy: -172.511 flat angles P-C4'-P energy: -102.506 tors. eta vs tors. theta energy: -182.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1773.528486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.528486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.528486 (E_RNA) where: Base-Base interactions energy: -1095.350 where: short stacking energy: -484.709 Base-Backbone interact. energy: 1.579 local terms energy: -679.757095 where: bonds (distance) C4'-P energy: -156.611 bonds (distance) P-C4' energy: -130.497 flat angles C4'-P-C4' energy: -172.821 flat angles P-C4'-P energy: -108.979 tors. eta vs tors. theta energy: -110.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1244.125229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.125229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.125229 (E_RNA) where: Base-Base interactions energy: -695.860 where: short stacking energy: -347.362 Base-Backbone interact. energy: 4.694 local terms energy: -552.959484 where: bonds (distance) C4'-P energy: -161.598 bonds (distance) P-C4' energy: -138.765 flat angles C4'-P-C4' energy: -139.450 flat angles P-C4'-P energy: -81.810 tors. eta vs tors. theta energy: -31.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -918.094067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.094067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.094067 (E_RNA) where: Base-Base interactions energy: -415.838 where: short stacking energy: -257.799 Base-Backbone interact. energy: 0.669 local terms energy: -502.924504 where: bonds (distance) C4'-P energy: -122.412 bonds (distance) P-C4' energy: -123.778 flat angles C4'-P-C4' energy: -157.674 flat angles P-C4'-P energy: -100.187 tors. eta vs tors. theta energy: 1.127 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: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -708.127458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.127458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.127458 (E_RNA) where: Base-Base interactions energy: -244.146 where: short stacking energy: -185.616 Base-Backbone interact. energy: -0.782 local terms energy: -463.199179 where: bonds (distance) C4'-P energy: -138.483 bonds (distance) P-C4' energy: -154.979 flat angles C4'-P-C4' energy: -124.429 flat angles P-C4'-P energy: -77.673 tors. eta vs tors. theta energy: 32.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3094.279260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.279260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.279260 (E_RNA) where: Base-Base interactions energy: -2121.399 where: short stacking energy: -849.408 Base-Backbone interact. energy: 1.481 local terms energy: -974.361016 where: bonds (distance) C4'-P energy: -172.757 bonds (distance) P-C4' energy: -193.723 flat angles C4'-P-C4' energy: -212.381 flat angles P-C4'-P energy: -140.109 tors. eta vs tors. theta energy: -255.390 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: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2955.986782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.986782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.986782 (E_RNA) where: Base-Base interactions energy: -2006.074 where: short stacking energy: -791.225 Base-Backbone interact. energy: -4.791 local terms energy: -945.122548 where: bonds (distance) C4'-P energy: -178.975 bonds (distance) P-C4' energy: -169.756 flat angles C4'-P-C4' energy: -208.185 flat angles P-C4'-P energy: -151.603 tors. eta vs tors. theta energy: -236.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2871.829349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.829349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.829349 (E_RNA) where: Base-Base interactions energy: -1933.294 where: short stacking energy: -829.625 Base-Backbone interact. energy: -2.458 local terms energy: -936.076585 where: bonds (distance) C4'-P energy: -179.525 bonds (distance) P-C4' energy: -176.885 flat angles C4'-P-C4' energy: -203.941 flat angles P-C4'-P energy: -138.635 tors. eta vs tors. theta energy: -237.090 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: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2721.273218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.273218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.273218 (E_RNA) where: Base-Base interactions energy: -1860.443 where: short stacking energy: -753.591 Base-Backbone interact. energy: -1.316 local terms energy: -859.514354 where: bonds (distance) C4'-P energy: -173.399 bonds (distance) P-C4' energy: -157.290 flat angles C4'-P-C4' energy: -198.239 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -225.603 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: 426 Temperature: 1.100000 Total energy: -2307.472828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.472828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.472828 (E_RNA) where: Base-Base interactions energy: -1504.240 where: short stacking energy: -658.404 Base-Backbone interact. energy: -3.229 local terms energy: -800.003426 where: bonds (distance) C4'-P energy: -157.815 bonds (distance) P-C4' energy: -168.195 flat angles C4'-P-C4' energy: -179.950 flat angles P-C4'-P energy: -105.862 tors. eta vs tors. theta energy: -188.182 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: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2174.079041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.079041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.079041 (E_RNA) where: Base-Base interactions energy: -1453.171 where: short stacking energy: -628.973 Base-Backbone interact. energy: -1.606 local terms energy: -719.302089 where: bonds (distance) C4'-P energy: -143.741 bonds (distance) P-C4' energy: -160.881 flat angles C4'-P-C4' energy: -149.572 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: -181.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1778.987422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.987422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.987422 (E_RNA) where: Base-Base interactions energy: -1097.202 where: short stacking energy: -496.505 Base-Backbone interact. energy: 1.374 local terms energy: -683.159307 where: bonds (distance) C4'-P energy: -142.082 bonds (distance) P-C4' energy: -156.367 flat angles C4'-P-C4' energy: -165.452 flat angles P-C4'-P energy: -110.821 tors. eta vs tors. theta energy: -108.436 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: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1210.712715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.712715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.712715 (E_RNA) where: Base-Base interactions energy: -654.077 where: short stacking energy: -309.361 Base-Backbone interact. energy: -1.048 local terms energy: -555.587766 where: bonds (distance) C4'-P energy: -143.964 bonds (distance) P-C4' energy: -160.918 flat angles C4'-P-C4' energy: -136.881 flat angles P-C4'-P energy: -89.062 tors. eta vs tors. theta energy: -24.762 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: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -901.615061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.615061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.615061 (E_RNA) where: Base-Base interactions energy: -421.575 where: short stacking energy: -251.594 Base-Backbone interact. energy: 6.630 local terms energy: -486.670261 where: bonds (distance) C4'-P energy: -162.292 bonds (distance) P-C4' energy: -144.657 flat angles C4'-P-C4' energy: -130.156 flat angles P-C4'-P energy: -70.511 tors. eta vs tors. theta energy: 20.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -670.108512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.108512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.108512 (E_RNA) where: Base-Base interactions energy: -265.719 where: short stacking energy: -205.024 Base-Backbone interact. energy: 8.606 local terms energy: -412.995492 where: bonds (distance) C4'-P energy: -151.490 bonds (distance) P-C4' energy: -130.746 flat angles C4'-P-C4' energy: -109.081 flat angles P-C4'-P energy: -55.868 tors. eta vs tors. theta energy: 34.190 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: 7 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3117.319694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.319694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.319694 (E_RNA) where: Base-Base interactions energy: -2113.757 where: short stacking energy: -861.202 Base-Backbone interact. energy: -2.049 local terms energy: -1001.513885 where: bonds (distance) C4'-P energy: -190.014 bonds (distance) P-C4' energy: -195.101 flat angles C4'-P-C4' energy: -200.521 flat angles P-C4'-P energy: -153.011 tors. eta vs tors. theta energy: -262.868 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: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2953.033230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.033230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.033230 (E_RNA) where: Base-Base interactions energy: -2030.311 where: short stacking energy: -814.181 Base-Backbone interact. energy: -3.149 local terms energy: -919.572435 where: bonds (distance) C4'-P energy: -172.690 bonds (distance) P-C4' energy: -172.972 flat angles C4'-P-C4' energy: -200.756 flat angles P-C4'-P energy: -126.905 tors. eta vs tors. theta energy: -246.250 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: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2811.604749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.604749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.604749 (E_RNA) where: Base-Base interactions energy: -1908.498 where: short stacking energy: -802.749 Base-Backbone interact. energy: -3.976 local terms energy: -899.130817 where: bonds (distance) C4'-P energy: -165.481 bonds (distance) P-C4' energy: -169.280 flat angles C4'-P-C4' energy: -196.871 flat angles P-C4'-P energy: -127.577 tors. eta vs tors. theta energy: -239.922 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: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2690.421371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.421371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.421371 (E_RNA) where: Base-Base interactions energy: -1841.735 where: short stacking energy: -771.541 Base-Backbone interact. energy: 4.126 local terms energy: -852.812313 where: bonds (distance) C4'-P energy: -150.644 bonds (distance) P-C4' energy: -157.117 flat angles C4'-P-C4' energy: -193.700 flat angles P-C4'-P energy: -121.489 tors. eta vs tors. theta energy: -229.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2288.457624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.457624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.457624 (E_RNA) where: Base-Base interactions energy: -1503.436 where: short stacking energy: -698.872 Base-Backbone interact. energy: -2.735 local terms energy: -782.286596 where: bonds (distance) C4'-P energy: -161.360 bonds (distance) P-C4' energy: -141.029 flat angles C4'-P-C4' energy: -178.692 flat angles P-C4'-P energy: -117.995 tors. eta vs tors. theta energy: -183.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2157.570425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.570425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.570425 (E_RNA) where: Base-Base interactions energy: -1409.590 where: short stacking energy: -634.284 Base-Backbone interact. energy: -0.956 local terms energy: -747.024956 where: bonds (distance) C4'-P energy: -153.796 bonds (distance) P-C4' energy: -162.214 flat angles C4'-P-C4' energy: -163.055 flat angles P-C4'-P energy: -98.153 tors. eta vs tors. theta energy: -169.806 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: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1785.715874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.715874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.715874 (E_RNA) where: Base-Base interactions energy: -1130.585 where: short stacking energy: -489.237 Base-Backbone interact. energy: -2.182 local terms energy: -652.948387 where: bonds (distance) C4'-P energy: -145.825 bonds (distance) P-C4' energy: -172.571 flat angles C4'-P-C4' energy: -140.419 flat angles P-C4'-P energy: -101.092 tors. eta vs tors. theta energy: -93.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1165.618204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.618204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.618204 (E_RNA) where: Base-Base interactions energy: -613.580 where: short stacking energy: -342.411 Base-Backbone interact. energy: 1.218 local terms energy: -553.255554 where: bonds (distance) C4'-P energy: -142.754 bonds (distance) P-C4' energy: -150.787 flat angles C4'-P-C4' energy: -138.835 flat angles P-C4'-P energy: -99.979 tors. eta vs tors. theta energy: -20.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -860.400017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.400017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.400017 (E_RNA) where: Base-Base interactions energy: -345.787 where: short stacking energy: -215.517 Base-Backbone interact. energy: -2.953 local terms energy: -511.659846 where: bonds (distance) C4'-P energy: -127.685 bonds (distance) P-C4' energy: -168.672 flat angles C4'-P-C4' energy: -147.499 flat angles P-C4'-P energy: -84.588 tors. eta vs tors. theta energy: 16.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -654.020625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.020625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.020625 (E_RNA) where: Base-Base interactions energy: -222.392 where: short stacking energy: -166.890 Base-Backbone interact. energy: 6.698 local terms energy: -438.326982 where: bonds (distance) C4'-P energy: -149.032 bonds (distance) P-C4' energy: -153.249 flat angles C4'-P-C4' energy: -119.456 flat angles P-C4'-P energy: -85.061 tors. eta vs tors. theta energy: 68.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3140.021600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.021600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.021600 (E_RNA) where: Base-Base interactions energy: -2138.883 where: short stacking energy: -893.589 Base-Backbone interact. energy: -4.669 local terms energy: -996.469078 where: bonds (distance) C4'-P energy: -179.649 bonds (distance) P-C4' energy: -199.255 flat angles C4'-P-C4' energy: -200.678 flat angles P-C4'-P energy: -148.425 tors. eta vs tors. theta energy: -268.463 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: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2946.619825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.619825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.619825 (E_RNA) where: Base-Base interactions energy: -2004.189 where: short stacking energy: -789.754 Base-Backbone interact. energy: -9.120 local terms energy: -933.311012 where: bonds (distance) C4'-P energy: -175.655 bonds (distance) P-C4' energy: -175.905 flat angles C4'-P-C4' energy: -203.622 flat angles P-C4'-P energy: -125.309 tors. eta vs tors. theta energy: -252.820 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: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2820.054245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.054245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.054245 (E_RNA) where: Base-Base interactions energy: -1892.970 where: short stacking energy: -790.703 Base-Backbone interact. energy: -3.670 local terms energy: -923.413884 where: bonds (distance) C4'-P energy: -171.124 bonds (distance) P-C4' energy: -166.846 flat angles C4'-P-C4' energy: -201.596 flat angles P-C4'-P energy: -134.992 tors. eta vs tors. theta energy: -248.857 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: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2763.271150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.271150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.271150 (E_RNA) where: Base-Base interactions energy: -1892.935 where: short stacking energy: -797.757 Base-Backbone interact. energy: 7.962 local terms energy: -878.297954 where: bonds (distance) C4'-P energy: -155.708 bonds (distance) P-C4' energy: -166.505 flat angles C4'-P-C4' energy: -196.990 flat angles P-C4'-P energy: -111.264 tors. eta vs tors. theta energy: -247.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2313.321219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.321219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.321219 (E_RNA) where: Base-Base interactions energy: -1508.749 where: short stacking energy: -634.718 Base-Backbone interact. energy: -1.271 local terms energy: -803.301885 where: bonds (distance) C4'-P energy: -154.712 bonds (distance) P-C4' energy: -180.773 flat angles C4'-P-C4' energy: -180.973 flat angles P-C4'-P energy: -111.498 tors. eta vs tors. theta energy: -175.346 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: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2204.268799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.268799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.268799 (E_RNA) where: Base-Base interactions energy: -1418.581 where: short stacking energy: -618.933 Base-Backbone interact. energy: -0.093 local terms energy: -785.594410 where: bonds (distance) C4'-P energy: -164.012 bonds (distance) P-C4' energy: -184.766 flat angles C4'-P-C4' energy: -168.937 flat angles P-C4'-P energy: -106.795 tors. eta vs tors. theta energy: -161.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1798.222804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.222804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.222804 (E_RNA) where: Base-Base interactions energy: -1077.693 where: short stacking energy: -505.492 Base-Backbone interact. energy: -1.484 local terms energy: -719.046560 where: bonds (distance) C4'-P energy: -159.780 bonds (distance) P-C4' energy: -173.525 flat angles C4'-P-C4' energy: -149.731 flat angles P-C4'-P energy: -102.756 tors. eta vs tors. theta energy: -133.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1205.824125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.824125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.824125 (E_RNA) where: Base-Base interactions energy: -653.710 where: short stacking energy: -355.904 Base-Backbone interact. energy: -0.294 local terms energy: -551.819996 where: bonds (distance) C4'-P energy: -148.073 bonds (distance) P-C4' energy: -165.395 flat angles C4'-P-C4' energy: -135.917 flat angles P-C4'-P energy: -62.367 tors. eta vs tors. theta energy: -40.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -931.110578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.110578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.110578 (E_RNA) where: Base-Base interactions energy: -430.080 where: short stacking energy: -266.439 Base-Backbone interact. energy: 2.651 local terms energy: -503.681617 where: bonds (distance) C4'-P energy: -137.976 bonds (distance) P-C4' energy: -150.891 flat angles C4'-P-C4' energy: -125.002 flat angles P-C4'-P energy: -79.948 tors. eta vs tors. theta energy: -9.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -668.981023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.981023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.981023 (E_RNA) where: Base-Base interactions energy: -219.494 where: short stacking energy: -177.006 Base-Backbone interact. energy: -1.764 local terms energy: -447.723887 where: bonds (distance) C4'-P energy: -148.598 bonds (distance) P-C4' energy: -151.182 flat angles C4'-P-C4' energy: -128.846 flat angles P-C4'-P energy: -32.965 tors. eta vs tors. theta energy: 13.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3105.236515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.236515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.236515 (E_RNA) where: Base-Base interactions energy: -2131.959 where: short stacking energy: -893.481 Base-Backbone interact. energy: -3.788 local terms energy: -969.489441 where: bonds (distance) C4'-P energy: -171.985 bonds (distance) P-C4' energy: -190.296 flat angles C4'-P-C4' energy: -198.933 flat angles P-C4'-P energy: -136.444 tors. eta vs tors. theta energy: -271.831 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: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2951.693577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.693577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.693577 (E_RNA) where: Base-Base interactions energy: -2020.370 where: short stacking energy: -813.640 Base-Backbone interact. energy: 3.918 local terms energy: -935.241082 where: bonds (distance) C4'-P energy: -178.424 bonds (distance) P-C4' energy: -180.194 flat angles C4'-P-C4' energy: -201.317 flat angles P-C4'-P energy: -126.998 tors. eta vs tors. theta energy: -248.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2847.943683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.943683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.943683 (E_RNA) where: Base-Base interactions energy: -1931.067 where: short stacking energy: -802.143 Base-Backbone interact. energy: 0.441 local terms energy: -917.316962 where: bonds (distance) C4'-P energy: -160.383 bonds (distance) P-C4' energy: -176.944 flat angles C4'-P-C4' energy: -186.587 flat angles P-C4'-P energy: -148.727 tors. eta vs tors. theta energy: -244.676 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: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2697.794787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.794787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.794787 (E_RNA) where: Base-Base interactions energy: -1849.758 where: short stacking energy: -750.500 Base-Backbone interact. energy: 0.376 local terms energy: -848.412901 where: bonds (distance) C4'-P energy: -155.656 bonds (distance) P-C4' energy: -169.147 flat angles C4'-P-C4' energy: -201.261 flat angles P-C4'-P energy: -105.825 tors. eta vs tors. theta energy: -216.524 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: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2337.120780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.120780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.120780 (E_RNA) where: Base-Base interactions energy: -1532.946 where: short stacking energy: -675.028 Base-Backbone interact. energy: -3.146 local terms energy: -801.028593 where: bonds (distance) C4'-P energy: -166.933 bonds (distance) P-C4' energy: -166.975 flat angles C4'-P-C4' energy: -178.274 flat angles P-C4'-P energy: -116.197 tors. eta vs tors. theta energy: -172.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2149.098644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.098644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.098644 (E_RNA) where: Base-Base interactions energy: -1403.010 where: short stacking energy: -592.639 Base-Backbone interact. energy: 2.268 local terms energy: -748.357352 where: bonds (distance) C4'-P energy: -155.003 bonds (distance) P-C4' energy: -167.052 flat angles C4'-P-C4' energy: -164.735 flat angles P-C4'-P energy: -97.824 tors. eta vs tors. theta energy: -163.743 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: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1731.620228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.620228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.620228 (E_RNA) where: Base-Base interactions energy: -1049.131 where: short stacking energy: -473.665 Base-Backbone interact. energy: 0.121 local terms energy: -682.610595 where: bonds (distance) C4'-P energy: -153.923 bonds (distance) P-C4' energy: -170.838 flat angles C4'-P-C4' energy: -153.744 flat angles P-C4'-P energy: -107.218 tors. eta vs tors. theta energy: -96.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1256.352239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.352239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.352239 (E_RNA) where: Base-Base interactions energy: -682.028 where: short stacking energy: -346.951 Base-Backbone interact. energy: -4.751 local terms energy: -569.573762 where: bonds (distance) C4'-P energy: -158.565 bonds (distance) P-C4' energy: -171.788 flat angles C4'-P-C4' energy: -125.529 flat angles P-C4'-P energy: -85.745 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: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -879.732111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.732111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.732111 (E_RNA) where: Base-Base interactions energy: -381.926 where: short stacking energy: -230.934 Base-Backbone interact. energy: 2.766 local terms energy: -500.572455 where: bonds (distance) C4'-P energy: -144.274 bonds (distance) P-C4' energy: -157.973 flat angles C4'-P-C4' energy: -137.739 flat angles P-C4'-P energy: -93.506 tors. eta vs tors. theta energy: 32.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -658.590601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.590601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.590601 (E_RNA) where: Base-Base interactions energy: -232.723 where: short stacking energy: -189.021 Base-Backbone interact. energy: -0.311 local terms energy: -425.556604 where: bonds (distance) C4'-P energy: -133.813 bonds (distance) P-C4' energy: -141.919 flat angles C4'-P-C4' energy: -136.895 flat angles P-C4'-P energy: -42.431 tors. eta vs tors. theta energy: 29.502 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: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3133.603647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.603647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.603647 (E_RNA) where: Base-Base interactions energy: -2146.733 where: short stacking energy: -900.581 Base-Backbone interact. energy: -2.453 local terms energy: -984.416943 where: bonds (distance) C4'-P energy: -181.045 bonds (distance) P-C4' energy: -177.265 flat angles C4'-P-C4' energy: -202.363 flat angles P-C4'-P energy: -139.380 tors. eta vs tors. theta energy: -284.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2941.287697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.287697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.287697 (E_RNA) where: Base-Base interactions energy: -1992.690 where: short stacking energy: -829.822 Base-Backbone interact. energy: -3.063 local terms energy: -945.534953 where: bonds (distance) C4'-P energy: -170.149 bonds (distance) P-C4' energy: -172.128 flat angles C4'-P-C4' energy: -199.817 flat angles P-C4'-P energy: -151.180 tors. eta vs tors. theta energy: -252.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2835.370067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.370067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.370067 (E_RNA) where: Base-Base interactions energy: -1904.399 where: short stacking energy: -801.909 Base-Backbone interact. energy: -1.364 local terms energy: -929.606941 where: bonds (distance) C4'-P energy: -167.712 bonds (distance) P-C4' energy: -182.776 flat angles C4'-P-C4' energy: -203.337 flat angles P-C4'-P energy: -139.323 tors. eta vs tors. theta energy: -236.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2676.643273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.643273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.643273 (E_RNA) where: Base-Base interactions energy: -1788.422 where: short stacking energy: -758.562 Base-Backbone interact. energy: -3.701 local terms energy: -884.519788 where: bonds (distance) C4'-P energy: -164.558 bonds (distance) P-C4' energy: -176.175 flat angles C4'-P-C4' energy: -190.385 flat angles P-C4'-P energy: -124.250 tors. eta vs tors. theta energy: -229.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2336.112476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.112476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.112476 (E_RNA) where: Base-Base interactions energy: -1525.260 where: short stacking energy: -687.174 Base-Backbone interact. energy: 4.826 local terms energy: -815.678607 where: bonds (distance) C4'-P energy: -156.741 bonds (distance) P-C4' energy: -167.199 flat angles C4'-P-C4' energy: -172.058 flat angles P-C4'-P energy: -117.941 tors. eta vs tors. theta energy: -201.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2161.487363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.487363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.487363 (E_RNA) where: Base-Base interactions energy: -1448.227 where: short stacking energy: -635.865 Base-Backbone interact. energy: -0.464 local terms energy: -712.797063 where: bonds (distance) C4'-P energy: -125.812 bonds (distance) P-C4' energy: -136.220 flat angles C4'-P-C4' energy: -180.062 flat angles P-C4'-P energy: -110.652 tors. eta vs tors. theta energy: -160.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1806.936872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.936872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.936872 (E_RNA) where: Base-Base interactions energy: -1112.504 where: short stacking energy: -503.877 Base-Backbone interact. energy: -3.148 local terms energy: -691.284038 where: bonds (distance) C4'-P energy: -155.592 bonds (distance) P-C4' energy: -170.851 flat angles C4'-P-C4' energy: -158.401 flat angles P-C4'-P energy: -97.197 tors. eta vs tors. theta energy: -109.243 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: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1262.986038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.986038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.986038 (E_RNA) where: Base-Base interactions energy: -676.569 where: short stacking energy: -341.430 Base-Backbone interact. energy: -0.553 local terms energy: -585.864251 where: bonds (distance) C4'-P energy: -150.357 bonds (distance) P-C4' energy: -164.538 flat angles C4'-P-C4' energy: -157.831 flat angles P-C4'-P energy: -83.623 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: 9, replica: 5 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -860.504012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.504012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.504012 (E_RNA) where: Base-Base interactions energy: -403.707 where: short stacking energy: -225.711 Base-Backbone interact. energy: 8.480 local terms energy: -465.277088 where: bonds (distance) C4'-P energy: -149.692 bonds (distance) P-C4' energy: -127.800 flat angles C4'-P-C4' energy: -137.699 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: 22.322 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: 10, replica: 8 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -668.745927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.745927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.745927 (E_RNA) where: Base-Base interactions energy: -203.185 where: short stacking energy: -184.091 Base-Backbone interact. energy: 9.558 local terms energy: -475.119176 where: bonds (distance) C4'-P energy: -156.247 bonds (distance) P-C4' energy: -150.231 flat angles C4'-P-C4' energy: -131.420 flat angles P-C4'-P energy: -71.095 tors. eta vs tors. theta energy: 33.874 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: 7 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3123.917569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.917569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.917569 (E_RNA) where: Base-Base interactions energy: -2150.296 where: short stacking energy: -874.499 Base-Backbone interact. energy: -1.098 local terms energy: -972.523808 where: bonds (distance) C4'-P energy: -172.837 bonds (distance) P-C4' energy: -180.123 flat angles C4'-P-C4' energy: -201.393 flat angles P-C4'-P energy: -137.791 tors. eta vs tors. theta energy: -280.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2945.728445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.728445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.728445 (E_RNA) where: Base-Base interactions energy: -2022.736 where: short stacking energy: -810.021 Base-Backbone interact. energy: -0.930 local terms energy: -922.062991 where: bonds (distance) C4'-P energy: -190.877 bonds (distance) P-C4' energy: -169.773 flat angles C4'-P-C4' energy: -203.697 flat angles P-C4'-P energy: -122.769 tors. eta vs tors. theta energy: -234.948 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: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2836.276171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.276171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.276171 (E_RNA) where: Base-Base interactions energy: -1911.336 where: short stacking energy: -794.252 Base-Backbone interact. energy: -0.826 local terms energy: -924.114354 where: bonds (distance) C4'-P energy: -174.589 bonds (distance) P-C4' energy: -168.688 flat angles C4'-P-C4' energy: -197.218 flat angles P-C4'-P energy: -129.599 tors. eta vs tors. theta energy: -254.020 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: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2655.327149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.327149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.327149 (E_RNA) where: Base-Base interactions energy: -1800.821 where: short stacking energy: -766.833 Base-Backbone interact. energy: -0.266 local terms energy: -854.239800 where: bonds (distance) C4'-P energy: -140.801 bonds (distance) P-C4' energy: -166.380 flat angles C4'-P-C4' energy: -197.445 flat angles P-C4'-P energy: -127.195 tors. eta vs tors. theta energy: -222.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2333.355878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.355878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.355878 (E_RNA) where: Base-Base interactions energy: -1501.233 where: short stacking energy: -671.543 Base-Backbone interact. energy: -2.166 local terms energy: -829.957757 where: bonds (distance) C4'-P energy: -161.306 bonds (distance) P-C4' energy: -179.140 flat angles C4'-P-C4' energy: -185.672 flat angles P-C4'-P energy: -124.527 tors. eta vs tors. theta energy: -179.312 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: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2166.010598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.010598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.010598 (E_RNA) where: Base-Base interactions energy: -1424.148 where: short stacking energy: -627.694 Base-Backbone interact. energy: 1.977 local terms energy: -743.839519 where: bonds (distance) C4'-P energy: -149.786 bonds (distance) P-C4' energy: -165.146 flat angles C4'-P-C4' energy: -169.565 flat angles P-C4'-P energy: -109.696 tors. eta vs tors. theta energy: -149.647 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: 7, replica: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1805.912554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.912554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.912554 (E_RNA) where: Base-Base interactions energy: -1129.755 where: short stacking energy: -499.593 Base-Backbone interact. energy: -2.774 local terms energy: -673.383361 where: bonds (distance) C4'-P energy: -134.689 bonds (distance) P-C4' energy: -158.452 flat angles C4'-P-C4' energy: -164.489 flat angles P-C4'-P energy: -92.954 tors. eta vs tors. theta energy: -122.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1283.760967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.760967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.760967 (E_RNA) where: Base-Base interactions energy: -694.549 where: short stacking energy: -334.479 Base-Backbone interact. energy: -5.962 local terms energy: -583.249542 where: bonds (distance) C4'-P energy: -137.560 bonds (distance) P-C4' energy: -158.774 flat angles C4'-P-C4' energy: -140.394 flat angles P-C4'-P energy: -104.547 tors. eta vs tors. theta energy: -41.975 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: 9, replica: 5 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1004.803938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.803938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.803938 (E_RNA) where: Base-Base interactions energy: -472.114 where: short stacking energy: -264.345 Base-Backbone interact. energy: 2.610 local terms energy: -535.299812 where: bonds (distance) C4'-P energy: -161.603 bonds (distance) P-C4' energy: -158.276 flat angles C4'-P-C4' energy: -142.206 flat angles P-C4'-P energy: -77.522 tors. eta vs tors. theta energy: 4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -631.590354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.590354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.590354 (E_RNA) where: Base-Base interactions energy: -228.261 where: short stacking energy: -195.547 Base-Backbone interact. energy: 4.330 local terms energy: -407.659056 where: bonds (distance) C4'-P energy: -135.778 bonds (distance) P-C4' energy: -139.463 flat angles C4'-P-C4' energy: -103.479 flat angles P-C4'-P energy: -74.149 tors. eta vs tors. theta energy: 45.210 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: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3113.947724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.947724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.947724 (E_RNA) where: Base-Base interactions energy: -2116.261 where: short stacking energy: -869.759 Base-Backbone interact. energy: -4.977 local terms energy: -992.709986 where: bonds (distance) C4'-P energy: -179.796 bonds (distance) P-C4' energy: -194.281 flat angles C4'-P-C4' energy: -206.474 flat angles P-C4'-P energy: -140.151 tors. eta vs tors. theta energy: -272.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2941.254952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.254952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.254952 (E_RNA) where: Base-Base interactions energy: -1987.748 where: short stacking energy: -821.352 Base-Backbone interact. energy: -6.171 local terms energy: -947.335891 where: bonds (distance) C4'-P energy: -175.774 bonds (distance) P-C4' energy: -160.801 flat angles C4'-P-C4' energy: -211.768 flat angles P-C4'-P energy: -138.146 tors. eta vs tors. theta energy: -260.846 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: 10 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2833.575192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.575192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.575192 (E_RNA) where: Base-Base interactions energy: -1945.272 where: short stacking energy: -819.382 Base-Backbone interact. energy: -7.093 local terms energy: -881.209518 where: bonds (distance) C4'-P energy: -138.048 bonds (distance) P-C4' energy: -180.332 flat angles C4'-P-C4' energy: -190.716 flat angles P-C4'-P energy: -134.891 tors. eta vs tors. theta energy: -237.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2661.277357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.277357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.277357 (E_RNA) where: Base-Base interactions energy: -1821.803 where: short stacking energy: -784.789 Base-Backbone interact. energy: 2.618 local terms energy: -842.092901 where: bonds (distance) C4'-P energy: -163.364 bonds (distance) P-C4' energy: -164.991 flat angles C4'-P-C4' energy: -174.327 flat angles P-C4'-P energy: -109.405 tors. eta vs tors. theta energy: -230.006 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: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2350.132925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.132925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.132925 (E_RNA) where: Base-Base interactions energy: -1529.877 where: short stacking energy: -658.688 Base-Backbone interact. energy: -1.363 local terms energy: -818.893132 where: bonds (distance) C4'-P energy: -181.190 bonds (distance) P-C4' energy: -170.957 flat angles C4'-P-C4' energy: -185.660 flat angles P-C4'-P energy: -107.881 tors. eta vs tors. theta energy: -173.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2139.396587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.396587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.396587 (E_RNA) where: Base-Base interactions energy: -1401.064 where: short stacking energy: -610.225 Base-Backbone interact. energy: 2.201 local terms energy: -740.533310 where: bonds (distance) C4'-P energy: -139.025 bonds (distance) P-C4' energy: -154.330 flat angles C4'-P-C4' energy: -174.032 flat angles P-C4'-P energy: -107.832 tors. eta vs tors. theta energy: -165.314 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: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1883.871567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.871567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.871567 (E_RNA) where: Base-Base interactions energy: -1193.813 where: short stacking energy: -530.438 Base-Backbone interact. energy: -1.970 local terms energy: -688.088378 where: bonds (distance) C4'-P energy: -152.624 bonds (distance) P-C4' energy: -163.909 flat angles C4'-P-C4' energy: -171.068 flat angles P-C4'-P energy: -90.367 tors. eta vs tors. theta energy: -110.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1261.124724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.124724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.124724 (E_RNA) where: Base-Base interactions energy: -700.098 where: short stacking energy: -336.735 Base-Backbone interact. energy: -3.852 local terms energy: -557.174408 where: bonds (distance) C4'-P energy: -138.936 bonds (distance) P-C4' energy: -147.476 flat angles C4'-P-C4' energy: -149.653 flat angles P-C4'-P energy: -86.786 tors. eta vs tors. theta energy: -34.324 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: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -973.407580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.407580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.407580 (E_RNA) where: Base-Base interactions energy: -482.539 where: short stacking energy: -276.198 Base-Backbone interact. energy: 1.276 local terms energy: -492.144820 where: bonds (distance) C4'-P energy: -138.788 bonds (distance) P-C4' energy: -155.183 flat angles C4'-P-C4' energy: -118.987 flat angles P-C4'-P energy: -69.839 tors. eta vs tors. theta energy: -9.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -675.214021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.214021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.214021 (E_RNA) where: Base-Base interactions energy: -243.232 where: short stacking energy: -167.518 Base-Backbone interact. energy: -0.371 local terms energy: -431.611795 where: bonds (distance) C4'-P energy: -148.635 bonds (distance) P-C4' energy: -155.899 flat angles C4'-P-C4' energy: -118.555 flat angles P-C4'-P energy: -47.303 tors. eta vs tors. theta energy: 38.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3098.725278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.725278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.725278 (E_RNA) where: Base-Base interactions energy: -2136.521 where: short stacking energy: -875.722 Base-Backbone interact. energy: 1.900 local terms energy: -964.104388 where: bonds (distance) C4'-P energy: -193.119 bonds (distance) P-C4' energy: -192.571 flat angles C4'-P-C4' energy: -199.206 flat angles P-C4'-P energy: -121.813 tors. eta vs tors. theta energy: -257.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2939.414017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.414017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.414017 (E_RNA) where: Base-Base interactions energy: -2014.783 where: short stacking energy: -803.682 Base-Backbone interact. energy: -4.985 local terms energy: -919.645833 where: bonds (distance) C4'-P energy: -166.812 bonds (distance) P-C4' energy: -176.100 flat angles C4'-P-C4' energy: -213.515 flat angles P-C4'-P energy: -122.167 tors. eta vs tors. theta energy: -241.052 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: 10 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2859.456169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.456169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.456169 (E_RNA) where: Base-Base interactions energy: -1945.699 where: short stacking energy: -833.525 Base-Backbone interact. energy: -3.763 local terms energy: -909.994306 where: bonds (distance) C4'-P energy: -166.330 bonds (distance) P-C4' energy: -183.438 flat angles C4'-P-C4' energy: -193.738 flat angles P-C4'-P energy: -115.209 tors. eta vs tors. theta energy: -251.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2684.064840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.064840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.064840 (E_RNA) where: Base-Base interactions energy: -1767.114 where: short stacking energy: -782.741 Base-Backbone interact. energy: -2.840 local terms energy: -914.110026 where: bonds (distance) C4'-P energy: -175.906 bonds (distance) P-C4' energy: -175.338 flat angles C4'-P-C4' energy: -208.310 flat angles P-C4'-P energy: -120.798 tors. eta vs tors. theta energy: -233.759 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: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2355.544214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.544214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.544214 (E_RNA) where: Base-Base interactions energy: -1529.134 where: short stacking energy: -677.286 Base-Backbone interact. energy: 0.560 local terms energy: -826.970881 where: bonds (distance) C4'-P energy: -150.840 bonds (distance) P-C4' energy: -183.035 flat angles C4'-P-C4' energy: -182.078 flat angles P-C4'-P energy: -108.507 tors. eta vs tors. theta energy: -202.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2194.285397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.285397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.285397 (E_RNA) where: Base-Base interactions energy: -1421.224 where: short stacking energy: -641.913 Base-Backbone interact. energy: -1.691 local terms energy: -771.370236 where: bonds (distance) C4'-P energy: -147.690 bonds (distance) P-C4' energy: -162.358 flat angles C4'-P-C4' energy: -175.689 flat angles P-C4'-P energy: -114.307 tors. eta vs tors. theta energy: -171.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1832.760705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.760705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.760705 (E_RNA) where: Base-Base interactions energy: -1141.147 where: short stacking energy: -524.934 Base-Backbone interact. energy: -3.436 local terms energy: -688.177807 where: bonds (distance) C4'-P energy: -138.803 bonds (distance) P-C4' energy: -160.144 flat angles C4'-P-C4' energy: -158.642 flat angles P-C4'-P energy: -101.898 tors. eta vs tors. theta energy: -128.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1369.662450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.662450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.662450 (E_RNA) where: Base-Base interactions energy: -790.811 where: short stacking energy: -394.138 Base-Backbone interact. energy: -0.769 local terms energy: -578.083042 where: bonds (distance) C4'-P energy: -141.491 bonds (distance) P-C4' energy: -163.451 flat angles C4'-P-C4' energy: -125.575 flat angles P-C4'-P energy: -103.549 tors. eta vs tors. theta energy: -44.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -969.342205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.342205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.342205 (E_RNA) where: Base-Base interactions energy: -516.783 where: short stacking energy: -255.246 Base-Backbone interact. energy: 2.201 local terms energy: -454.760784 where: bonds (distance) C4'-P energy: -132.461 bonds (distance) P-C4' energy: -122.837 flat angles C4'-P-C4' energy: -126.038 flat angles P-C4'-P energy: -78.134 tors. eta vs tors. theta energy: 4.710 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: 10, replica: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -713.074145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.074145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.074145 (E_RNA) where: Base-Base interactions energy: -265.517 where: short stacking energy: -176.540 Base-Backbone interact. energy: -0.969 local terms energy: -446.588254 where: bonds (distance) C4'-P energy: -125.259 bonds (distance) P-C4' energy: -165.871 flat angles C4'-P-C4' energy: -120.784 flat angles P-C4'-P energy: -56.609 tors. eta vs tors. theta energy: 21.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3103.006386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.006386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.006386 (E_RNA) where: Base-Base interactions energy: -2114.035 where: short stacking energy: -889.000 Base-Backbone interact. energy: -4.519 local terms energy: -984.451855 where: bonds (distance) C4'-P energy: -179.395 bonds (distance) P-C4' energy: -182.032 flat angles C4'-P-C4' energy: -208.093 flat angles P-C4'-P energy: -132.804 tors. eta vs tors. theta energy: -282.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2948.603542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.603542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.603542 (E_RNA) where: Base-Base interactions energy: -2021.312 where: short stacking energy: -867.972 Base-Backbone interact. energy: 2.249 local terms energy: -929.539808 where: bonds (distance) C4'-P energy: -174.924 bonds (distance) P-C4' energy: -179.858 flat angles C4'-P-C4' energy: -205.449 flat angles P-C4'-P energy: -130.720 tors. eta vs tors. theta energy: -238.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2886.455395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.455395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.455395 (E_RNA) where: Base-Base interactions energy: -1943.223 where: short stacking energy: -821.455 Base-Backbone interact. energy: -5.147 local terms energy: -938.085504 where: bonds (distance) C4'-P energy: -182.657 bonds (distance) P-C4' energy: -192.759 flat angles C4'-P-C4' energy: -190.897 flat angles P-C4'-P energy: -121.190 tors. eta vs tors. theta energy: -250.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2662.558873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.558873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.558873 (E_RNA) where: Base-Base interactions energy: -1815.452 where: short stacking energy: -768.419 Base-Backbone interact. energy: -0.895 local terms energy: -846.211938 where: bonds (distance) C4'-P energy: -150.579 bonds (distance) P-C4' energy: -143.584 flat angles C4'-P-C4' energy: -199.139 flat angles P-C4'-P energy: -140.175 tors. eta vs tors. theta energy: -212.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2315.109382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.109382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.109382 (E_RNA) where: Base-Base interactions energy: -1553.444 where: short stacking energy: -701.002 Base-Backbone interact. energy: -0.692 local terms energy: -760.973345 where: bonds (distance) C4'-P energy: -147.313 bonds (distance) P-C4' energy: -151.688 flat angles C4'-P-C4' energy: -170.099 flat angles P-C4'-P energy: -107.940 tors. eta vs tors. theta energy: -183.933 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: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2137.938236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.938236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.938236 (E_RNA) where: Base-Base interactions energy: -1381.848 where: short stacking energy: -602.287 Base-Backbone interact. energy: -0.436 local terms energy: -755.653951 where: bonds (distance) C4'-P energy: -151.751 bonds (distance) P-C4' energy: -162.393 flat angles C4'-P-C4' energy: -184.996 flat angles P-C4'-P energy: -96.018 tors. eta vs tors. theta energy: -160.495 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: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1787.812960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.812960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.812960 (E_RNA) where: Base-Base interactions energy: -1114.703 where: short stacking energy: -499.577 Base-Backbone interact. energy: -0.027 local terms energy: -673.082873 where: bonds (distance) C4'-P energy: -123.502 bonds (distance) P-C4' energy: -145.762 flat angles C4'-P-C4' energy: -182.450 flat angles P-C4'-P energy: -106.369 tors. eta vs tors. theta energy: -115.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1299.204776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.204776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.204776 (E_RNA) where: Base-Base interactions energy: -718.085 where: short stacking energy: -328.417 Base-Backbone interact. energy: 4.425 local terms energy: -585.544608 where: bonds (distance) C4'-P energy: -138.190 bonds (distance) P-C4' energy: -155.013 flat angles C4'-P-C4' energy: -158.581 flat angles P-C4'-P energy: -104.980 tors. eta vs tors. theta energy: -28.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1059.033762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.033762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.033762 (E_RNA) where: Base-Base interactions energy: -537.193 where: short stacking energy: -277.488 Base-Backbone interact. energy: 2.109 local terms energy: -523.950323 where: bonds (distance) C4'-P energy: -148.078 bonds (distance) P-C4' energy: -151.057 flat angles C4'-P-C4' energy: -141.269 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -19.648 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: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -681.235404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.235404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.235404 (E_RNA) where: Base-Base interactions energy: -229.008 where: short stacking energy: -150.748 Base-Backbone interact. energy: -0.185 local terms energy: -452.042331 where: bonds (distance) C4'-P energy: -157.939 bonds (distance) P-C4' energy: -147.126 flat angles C4'-P-C4' energy: -126.524 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: 45.674 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: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3124.218797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.218797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.218797 (E_RNA) where: Base-Base interactions energy: -2127.448 where: short stacking energy: -885.863 Base-Backbone interact. energy: -2.180 local terms energy: -994.590105 where: bonds (distance) C4'-P energy: -182.971 bonds (distance) P-C4' energy: -196.440 flat angles C4'-P-C4' energy: -211.834 flat angles P-C4'-P energy: -132.190 tors. eta vs tors. theta energy: -271.156 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: 435 Temperature: 0.950000 Total energy: -2952.148579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.148579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.148579 (E_RNA) where: Base-Base interactions energy: -2034.484 where: short stacking energy: -883.069 Base-Backbone interact. energy: -4.976 local terms energy: -912.688024 where: bonds (distance) C4'-P energy: -168.859 bonds (distance) P-C4' energy: -158.143 flat angles C4'-P-C4' energy: -190.028 flat angles P-C4'-P energy: -128.680 tors. eta vs tors. theta energy: -266.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2838.456329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.456329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.456329 (E_RNA) where: Base-Base interactions energy: -1964.504 where: short stacking energy: -811.153 Base-Backbone interact. energy: -4.478 local terms energy: -869.474387 where: bonds (distance) C4'-P energy: -160.393 bonds (distance) P-C4' energy: -169.903 flat angles C4'-P-C4' energy: -185.241 flat angles P-C4'-P energy: -122.089 tors. eta vs tors. theta energy: -231.850 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: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2685.757599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.757599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.757599 (E_RNA) where: Base-Base interactions energy: -1851.850 where: short stacking energy: -781.479 Base-Backbone interact. energy: -3.408 local terms energy: -830.500040 where: bonds (distance) C4'-P energy: -146.424 bonds (distance) P-C4' energy: -160.240 flat angles C4'-P-C4' energy: -185.755 flat angles P-C4'-P energy: -113.776 tors. eta vs tors. theta energy: -224.305 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: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2320.840416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.840416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.840416 (E_RNA) where: Base-Base interactions energy: -1511.930 where: short stacking energy: -683.295 Base-Backbone interact. energy: -3.436 local terms energy: -805.475272 where: bonds (distance) C4'-P energy: -153.111 bonds (distance) P-C4' energy: -173.194 flat angles C4'-P-C4' energy: -175.287 flat angles P-C4'-P energy: -116.304 tors. eta vs tors. theta energy: -187.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2136.818211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.818211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.818211 (E_RNA) where: Base-Base interactions energy: -1409.331 where: short stacking energy: -611.246 Base-Backbone interact. energy: 2.772 local terms energy: -730.258945 where: bonds (distance) C4'-P energy: -148.489 bonds (distance) P-C4' energy: -153.715 flat angles C4'-P-C4' energy: -150.772 flat angles P-C4'-P energy: -107.522 tors. eta vs tors. theta energy: -169.761 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: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1733.919723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.919723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.919723 (E_RNA) where: Base-Base interactions energy: -1044.666 where: short stacking energy: -492.103 Base-Backbone interact. energy: 1.503 local terms energy: -690.756893 where: bonds (distance) C4'-P energy: -150.497 bonds (distance) P-C4' energy: -155.228 flat angles C4'-P-C4' energy: -167.920 flat angles P-C4'-P energy: -104.253 tors. eta vs tors. theta energy: -112.860 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: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1350.226473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.226473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.226473 (E_RNA) where: Base-Base interactions energy: -749.925 where: short stacking energy: -381.963 Base-Backbone interact. energy: -2.568 local terms energy: -597.733683 where: bonds (distance) C4'-P energy: -130.080 bonds (distance) P-C4' energy: -165.329 flat angles C4'-P-C4' energy: -143.095 flat angles P-C4'-P energy: -102.459 tors. eta vs tors. theta energy: -56.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -974.656302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.656302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.656302 (E_RNA) where: Base-Base interactions energy: -473.847 where: short stacking energy: -269.032 Base-Backbone interact. energy: 0.033 local terms energy: -500.842692 where: bonds (distance) C4'-P energy: -144.990 bonds (distance) P-C4' energy: -155.556 flat angles C4'-P-C4' energy: -133.125 flat angles P-C4'-P energy: -81.348 tors. eta vs tors. theta energy: 14.176 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: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -676.592343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.592343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.592343 (E_RNA) where: Base-Base interactions energy: -254.545 where: short stacking energy: -176.420 Base-Backbone interact. energy: -3.196 local terms energy: -418.851491 where: bonds (distance) C4'-P energy: -153.543 bonds (distance) P-C4' energy: -142.216 flat angles C4'-P-C4' energy: -118.590 flat angles P-C4'-P energy: -80.215 tors. eta vs tors. theta energy: 75.711 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: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3126.601114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.601114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.601114 (E_RNA) where: Base-Base interactions energy: -2164.808 where: short stacking energy: -895.377 Base-Backbone interact. energy: -4.657 local terms energy: -957.136155 where: bonds (distance) C4'-P energy: -168.218 bonds (distance) P-C4' energy: -176.667 flat angles C4'-P-C4' energy: -207.703 flat angles P-C4'-P energy: -135.526 tors. eta vs tors. theta energy: -269.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2952.732844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.732844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.732844 (E_RNA) where: Base-Base interactions energy: -2022.135 where: short stacking energy: -844.552 Base-Backbone interact. energy: -1.565 local terms energy: -929.032863 where: bonds (distance) C4'-P energy: -172.377 bonds (distance) P-C4' energy: -165.163 flat angles C4'-P-C4' energy: -213.383 flat angles P-C4'-P energy: -129.380 tors. eta vs tors. theta energy: -248.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2846.456134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.456134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.456134 (E_RNA) where: Base-Base interactions energy: -1953.840 where: short stacking energy: -793.601 Base-Backbone interact. energy: -4.600 local terms energy: -888.015311 where: bonds (distance) C4'-P energy: -160.035 bonds (distance) P-C4' energy: -168.776 flat angles C4'-P-C4' energy: -183.104 flat angles P-C4'-P energy: -135.192 tors. eta vs tors. theta energy: -240.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2648.418928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.418928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.418928 (E_RNA) where: Base-Base interactions energy: -1793.106 where: short stacking energy: -741.209 Base-Backbone interact. energy: 2.042 local terms energy: -857.354515 where: bonds (distance) C4'-P energy: -150.673 bonds (distance) P-C4' energy: -165.795 flat angles C4'-P-C4' energy: -194.811 flat angles P-C4'-P energy: -123.901 tors. eta vs tors. theta energy: -222.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2324.249064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.249064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.249064 (E_RNA) where: Base-Base interactions energy: -1521.758 where: short stacking energy: -676.559 Base-Backbone interact. energy: -2.712 local terms energy: -799.779803 where: bonds (distance) C4'-P energy: -143.440 bonds (distance) P-C4' energy: -160.654 flat angles C4'-P-C4' energy: -178.144 flat angles P-C4'-P energy: -126.593 tors. eta vs tors. theta energy: -190.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2054.629736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.629736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.629736 (E_RNA) where: Base-Base interactions energy: -1321.015 where: short stacking energy: -580.775 Base-Backbone interact. energy: -4.375 local terms energy: -729.239793 where: bonds (distance) C4'-P energy: -153.389 bonds (distance) P-C4' energy: -149.074 flat angles C4'-P-C4' energy: -163.175 flat angles P-C4'-P energy: -112.983 tors. eta vs tors. theta energy: -150.619 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: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1754.539021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.539021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.539021 (E_RNA) where: Base-Base interactions energy: -1083.281 where: short stacking energy: -499.932 Base-Backbone interact. energy: 5.018 local terms energy: -676.275469 where: bonds (distance) C4'-P energy: -127.262 bonds (distance) P-C4' energy: -173.247 flat angles C4'-P-C4' energy: -158.658 flat angles P-C4'-P energy: -106.233 tors. eta vs tors. theta energy: -110.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1375.600741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.600741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.600741 (E_RNA) where: Base-Base interactions energy: -832.566 where: short stacking energy: -373.233 Base-Backbone interact. energy: -4.980 local terms energy: -538.054379 where: bonds (distance) C4'-P energy: -151.494 bonds (distance) P-C4' energy: -124.138 flat angles C4'-P-C4' energy: -141.554 flat angles P-C4'-P energy: -84.016 tors. eta vs tors. theta energy: -36.852 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: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -974.961451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.961451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.961451 (E_RNA) where: Base-Base interactions energy: -492.322 where: short stacking energy: -268.255 Base-Backbone interact. energy: 0.850 local terms energy: -483.490274 where: bonds (distance) C4'-P energy: -119.497 bonds (distance) P-C4' energy: -167.409 flat angles C4'-P-C4' energy: -123.721 flat angles P-C4'-P energy: -79.846 tors. eta vs tors. theta energy: 6.982 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: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -622.224636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.224636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.224636 (E_RNA) where: Base-Base interactions energy: -182.410 where: short stacking energy: -155.915 Base-Backbone interact. energy: 1.283 local terms energy: -441.097215 where: bonds (distance) C4'-P energy: -134.971 bonds (distance) P-C4' energy: -153.518 flat angles C4'-P-C4' energy: -114.129 flat angles P-C4'-P energy: -71.148 tors. eta vs tors. theta energy: 32.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3144.860109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.860109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.860109 (E_RNA) where: Base-Base interactions energy: -2142.518 where: short stacking energy: -870.738 Base-Backbone interact. energy: -1.281 local terms energy: -1001.060793 where: bonds (distance) C4'-P energy: -173.405 bonds (distance) P-C4' energy: -188.075 flat angles C4'-P-C4' energy: -217.413 flat angles P-C4'-P energy: -148.378 tors. eta vs tors. theta energy: -273.789 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: 2, replica: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2949.026825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.026825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.026825 (E_RNA) where: Base-Base interactions energy: -1971.652 where: short stacking energy: -833.275 Base-Backbone interact. energy: -5.049 local terms energy: -972.325882 where: bonds (distance) C4'-P energy: -182.692 bonds (distance) P-C4' energy: -183.567 flat angles C4'-P-C4' energy: -197.437 flat angles P-C4'-P energy: -146.249 tors. eta vs tors. theta energy: -262.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2832.158416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.158416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.158416 (E_RNA) where: Base-Base interactions energy: -1983.052 where: short stacking energy: -762.269 Base-Backbone interact. energy: -4.375 local terms energy: -844.731282 where: bonds (distance) C4'-P energy: -172.690 bonds (distance) P-C4' energy: -157.967 flat angles C4'-P-C4' energy: -183.981 flat angles P-C4'-P energy: -109.873 tors. eta vs tors. theta energy: -220.219 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: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2696.776936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.776936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.776936 (E_RNA) where: Base-Base interactions energy: -1842.716 where: short stacking energy: -785.794 Base-Backbone interact. energy: -4.562 local terms energy: -849.499222 where: bonds (distance) C4'-P energy: -160.571 bonds (distance) P-C4' energy: -155.094 flat angles C4'-P-C4' energy: -176.997 flat angles P-C4'-P energy: -132.097 tors. eta vs tors. theta energy: -224.740 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: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2285.552642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.552642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.552642 (E_RNA) where: Base-Base interactions energy: -1479.263 where: short stacking energy: -658.075 Base-Backbone interact. energy: -3.320 local terms energy: -802.968945 where: bonds (distance) C4'-P energy: -166.244 bonds (distance) P-C4' energy: -167.162 flat angles C4'-P-C4' energy: -188.583 flat angles P-C4'-P energy: -108.982 tors. eta vs tors. theta energy: -171.998 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: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2100.161615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.161615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.161615 (E_RNA) where: Base-Base interactions energy: -1358.775 where: short stacking energy: -649.095 Base-Backbone interact. energy: 0.422 local terms energy: -741.808900 where: bonds (distance) C4'-P energy: -153.095 bonds (distance) P-C4' energy: -144.411 flat angles C4'-P-C4' energy: -177.213 flat angles P-C4'-P energy: -106.107 tors. eta vs tors. theta energy: -160.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1701.682644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.682644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.682644 (E_RNA) where: Base-Base interactions energy: -1067.209 where: short stacking energy: -484.853 Base-Backbone interact. energy: -3.141 local terms energy: -631.332991 where: bonds (distance) C4'-P energy: -146.529 bonds (distance) P-C4' energy: -144.634 flat angles C4'-P-C4' energy: -147.872 flat angles P-C4'-P energy: -77.532 tors. eta vs tors. theta energy: -114.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1393.335967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.335967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.335967 (E_RNA) where: Base-Base interactions energy: -810.283 where: short stacking energy: -375.921 Base-Backbone interact. energy: -2.349 local terms energy: -580.704158 where: bonds (distance) C4'-P energy: -164.409 bonds (distance) P-C4' energy: -141.259 flat angles C4'-P-C4' energy: -127.721 flat angles P-C4'-P energy: -92.921 tors. eta vs tors. theta energy: -54.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1017.221007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.221007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.221007 (E_RNA) where: Base-Base interactions energy: -503.252 where: short stacking energy: -273.897 Base-Backbone interact. energy: 2.604 local terms energy: -516.572778 where: bonds (distance) C4'-P energy: -139.999 bonds (distance) P-C4' energy: -173.282 flat angles C4'-P-C4' energy: -148.062 flat angles P-C4'-P energy: -70.781 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: 10, replica: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -636.421476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.421476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.421476 (E_RNA) where: Base-Base interactions energy: -221.736 where: short stacking energy: -158.351 Base-Backbone interact. energy: 1.837 local terms energy: -416.521896 where: bonds (distance) C4'-P energy: -137.697 bonds (distance) P-C4' energy: -166.805 flat angles C4'-P-C4' energy: -109.339 flat angles P-C4'-P energy: -59.833 tors. eta vs tors. theta energy: 57.152 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: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3120.977092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.977092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.977092 (E_RNA) where: Base-Base interactions energy: -2164.808 where: short stacking energy: -908.695 Base-Backbone interact. energy: -2.637 local terms energy: -953.532832 where: bonds (distance) C4'-P energy: -180.846 bonds (distance) P-C4' energy: -163.660 flat angles C4'-P-C4' energy: -198.654 flat angles P-C4'-P energy: -141.379 tors. eta vs tors. theta energy: -268.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2920.839970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.839970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.839970 (E_RNA) where: Base-Base interactions energy: -1981.326 where: short stacking energy: -819.361 Base-Backbone interact. energy: -1.097 local terms energy: -938.416894 where: bonds (distance) C4'-P energy: -169.408 bonds (distance) P-C4' energy: -171.016 flat angles C4'-P-C4' energy: -204.562 flat angles P-C4'-P energy: -142.558 tors. eta vs tors. theta energy: -250.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2837.489992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.489992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.489992 (E_RNA) where: Base-Base interactions energy: -1931.729 where: short stacking energy: -782.547 Base-Backbone interact. energy: -6.626 local terms energy: -899.135007 where: bonds (distance) C4'-P energy: -168.996 bonds (distance) P-C4' energy: -194.166 flat angles C4'-P-C4' energy: -190.338 flat angles P-C4'-P energy: -115.566 tors. eta vs tors. theta energy: -230.068 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: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2719.124034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.124034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.124034 (E_RNA) where: Base-Base interactions energy: -1849.252 where: short stacking energy: -768.600 Base-Backbone interact. energy: -3.398 local terms energy: -866.474535 where: bonds (distance) C4'-P energy: -152.670 bonds (distance) P-C4' energy: -167.388 flat angles C4'-P-C4' energy: -195.630 flat angles P-C4'-P energy: -123.819 tors. eta vs tors. theta energy: -226.966 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: 438 Temperature: 1.100000 Total energy: -2244.320807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.320807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.320807 (E_RNA) where: Base-Base interactions energy: -1439.959 where: short stacking energy: -652.319 Base-Backbone interact. energy: -0.433 local terms energy: -803.928627 where: bonds (distance) C4'-P energy: -154.340 bonds (distance) P-C4' energy: -169.001 flat angles C4'-P-C4' energy: -183.460 flat angles P-C4'-P energy: -119.075 tors. eta vs tors. theta energy: -178.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2019.889245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.889245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.889245 (E_RNA) where: Base-Base interactions energy: -1307.797 where: short stacking energy: -532.501 Base-Backbone interact. energy: -0.072 local terms energy: -712.020532 where: bonds (distance) C4'-P energy: -158.871 bonds (distance) P-C4' energy: -162.721 flat angles C4'-P-C4' energy: -159.001 flat angles P-C4'-P energy: -87.375 tors. eta vs tors. theta energy: -144.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1666.487161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.487161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.487161 (E_RNA) where: Base-Base interactions energy: -1043.845 where: short stacking energy: -489.671 Base-Backbone interact. energy: 2.001 local terms energy: -624.643366 where: bonds (distance) C4'-P energy: -140.721 bonds (distance) P-C4' energy: -155.469 flat angles C4'-P-C4' energy: -155.949 flat angles P-C4'-P energy: -76.064 tors. eta vs tors. theta energy: -96.440 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: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1390.149261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.149261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.149261 (E_RNA) where: Base-Base interactions energy: -842.840 where: short stacking energy: -389.576 Base-Backbone interact. energy: 1.204 local terms energy: -548.513038 where: bonds (distance) C4'-P energy: -124.833 bonds (distance) P-C4' energy: -136.613 flat angles C4'-P-C4' energy: -137.107 flat angles P-C4'-P energy: -95.287 tors. eta vs tors. theta energy: -54.672 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: 5 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -949.489674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.489674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.489674 (E_RNA) where: Base-Base interactions energy: -458.347 where: short stacking energy: -247.876 Base-Backbone interact. energy: 2.837 local terms energy: -493.979481 where: bonds (distance) C4'-P energy: -156.560 bonds (distance) P-C4' energy: -137.254 flat angles C4'-P-C4' energy: -136.097 flat angles P-C4'-P energy: -76.096 tors. eta vs tors. theta energy: 12.028 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: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -644.999750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.999750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.999750 (E_RNA) where: Base-Base interactions energy: -236.186 where: short stacking energy: -169.217 Base-Backbone interact. energy: 3.347 local terms energy: -412.160857 where: bonds (distance) C4'-P energy: -136.470 bonds (distance) P-C4' energy: -151.830 flat angles C4'-P-C4' energy: -135.715 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: 56.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3158.268165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.268165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.268165 (E_RNA) where: Base-Base interactions energy: -2165.068 where: short stacking energy: -902.171 Base-Backbone interact. energy: -1.835 local terms energy: -991.365838 where: bonds (distance) C4'-P energy: -191.829 bonds (distance) P-C4' energy: -186.312 flat angles C4'-P-C4' energy: -214.892 flat angles P-C4'-P energy: -129.534 tors. eta vs tors. theta energy: -268.799 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: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2918.007819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.007819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.007819 (E_RNA) where: Base-Base interactions energy: -1991.296 where: short stacking energy: -814.127 Base-Backbone interact. energy: -6.798 local terms energy: -919.914488 where: bonds (distance) C4'-P energy: -175.625 bonds (distance) P-C4' energy: -160.042 flat angles C4'-P-C4' energy: -197.834 flat angles P-C4'-P energy: -141.620 tors. eta vs tors. theta energy: -244.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2869.462274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.462274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.462274 (E_RNA) where: Base-Base interactions energy: -1941.189 where: short stacking energy: -819.480 Base-Backbone interact. energy: -3.111 local terms energy: -925.162220 where: bonds (distance) C4'-P energy: -174.304 bonds (distance) P-C4' energy: -183.411 flat angles C4'-P-C4' energy: -206.760 flat angles P-C4'-P energy: -132.126 tors. eta vs tors. theta energy: -228.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2705.954374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.954374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.954374 (E_RNA) where: Base-Base interactions energy: -1826.517 where: short stacking energy: -756.929 Base-Backbone interact. energy: -1.604 local terms energy: -877.832801 where: bonds (distance) C4'-P energy: -152.927 bonds (distance) P-C4' energy: -162.550 flat angles C4'-P-C4' energy: -194.090 flat angles P-C4'-P energy: -126.196 tors. eta vs tors. theta energy: -242.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2242.140390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.140390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.140390 (E_RNA) where: Base-Base interactions energy: -1457.665 where: short stacking energy: -634.025 Base-Backbone interact. energy: 0.078 local terms energy: -784.553161 where: bonds (distance) C4'-P energy: -149.304 bonds (distance) P-C4' energy: -157.669 flat angles C4'-P-C4' energy: -180.325 flat angles P-C4'-P energy: -122.964 tors. eta vs tors. theta energy: -174.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2082.687924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.687924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.687924 (E_RNA) where: Base-Base interactions energy: -1315.175 where: short stacking energy: -606.252 Base-Backbone interact. energy: 0.651 local terms energy: -768.163892 where: bonds (distance) C4'-P energy: -152.124 bonds (distance) P-C4' energy: -169.622 flat angles C4'-P-C4' energy: -171.417 flat angles P-C4'-P energy: -103.976 tors. eta vs tors. theta energy: -171.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1697.432373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.432373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.432373 (E_RNA) where: Base-Base interactions energy: -1049.249 where: short stacking energy: -482.018 Base-Backbone interact. energy: -2.401 local terms energy: -645.781943 where: bonds (distance) C4'-P energy: -145.557 bonds (distance) P-C4' energy: -140.699 flat angles C4'-P-C4' energy: -163.096 flat angles P-C4'-P energy: -82.501 tors. eta vs tors. theta energy: -113.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1430.090586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.090586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.090586 (E_RNA) where: Base-Base interactions energy: -800.023 where: short stacking energy: -368.702 Base-Backbone interact. energy: -0.326 local terms energy: -629.741926 where: bonds (distance) C4'-P energy: -154.935 bonds (distance) P-C4' energy: -167.661 flat angles C4'-P-C4' energy: -152.365 flat angles P-C4'-P energy: -105.251 tors. eta vs tors. theta energy: -49.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -929.490111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.490111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.490111 (E_RNA) where: Base-Base interactions energy: -473.879 where: short stacking energy: -265.162 Base-Backbone interact. energy: 0.969 local terms energy: -456.579939 where: bonds (distance) C4'-P energy: -146.998 bonds (distance) P-C4' energy: -138.722 flat angles C4'-P-C4' energy: -119.914 flat angles P-C4'-P energy: -47.129 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -670.663892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.663892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.663892 (E_RNA) where: Base-Base interactions energy: -226.008 where: short stacking energy: -193.747 Base-Backbone interact. energy: 0.115 local terms energy: -444.770769 where: bonds (distance) C4'-P energy: -160.841 bonds (distance) P-C4' energy: -177.369 flat angles C4'-P-C4' energy: -87.284 flat angles P-C4'-P energy: -44.319 tors. eta vs tors. theta energy: 25.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3116.086292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.086292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.086292 (E_RNA) where: Base-Base interactions energy: -2137.407 where: short stacking energy: -889.395 Base-Backbone interact. energy: -0.814 local terms energy: -977.864979 where: bonds (distance) C4'-P energy: -165.538 bonds (distance) P-C4' energy: -183.267 flat angles C4'-P-C4' energy: -211.956 flat angles P-C4'-P energy: -149.586 tors. eta vs tors. theta energy: -267.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2923.965856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.965856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.965856 (E_RNA) where: Base-Base interactions energy: -1999.889 where: short stacking energy: -817.258 Base-Backbone interact. energy: -6.011 local terms energy: -918.066138 where: bonds (distance) C4'-P energy: -160.315 bonds (distance) P-C4' energy: -177.772 flat angles C4'-P-C4' energy: -204.396 flat angles P-C4'-P energy: -127.594 tors. eta vs tors. theta energy: -247.989 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: 3, replica: 10 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2873.911137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.911137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.911137 (E_RNA) where: Base-Base interactions energy: -1964.248 where: short stacking energy: -846.030 Base-Backbone interact. energy: -4.086 local terms energy: -905.577035 where: bonds (distance) C4'-P energy: -168.820 bonds (distance) P-C4' energy: -149.467 flat angles C4'-P-C4' energy: -214.746 flat angles P-C4'-P energy: -122.481 tors. eta vs tors. theta energy: -250.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2681.703966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.703966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.703966 (E_RNA) where: Base-Base interactions energy: -1847.645 where: short stacking energy: -744.844 Base-Backbone interact. energy: 2.147 local terms energy: -836.206437 where: bonds (distance) C4'-P energy: -151.235 bonds (distance) P-C4' energy: -166.514 flat angles C4'-P-C4' energy: -183.421 flat angles P-C4'-P energy: -111.541 tors. eta vs tors. theta energy: -223.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2280.156825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.156825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.156825 (E_RNA) where: Base-Base interactions energy: -1487.750 where: short stacking energy: -642.761 Base-Backbone interact. energy: -4.259 local terms energy: -788.148447 where: bonds (distance) C4'-P energy: -135.058 bonds (distance) P-C4' energy: -175.894 flat angles C4'-P-C4' energy: -178.511 flat angles P-C4'-P energy: -120.299 tors. eta vs tors. theta energy: -178.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2172.486262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.486262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.486262 (E_RNA) where: Base-Base interactions energy: -1416.895 where: short stacking energy: -623.523 Base-Backbone interact. energy: -3.697 local terms energy: -751.893636 where: bonds (distance) C4'-P energy: -140.954 bonds (distance) P-C4' energy: -168.114 flat angles C4'-P-C4' energy: -162.852 flat angles P-C4'-P energy: -113.845 tors. eta vs tors. theta energy: -166.129 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: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1660.334264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.334264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.334264 (E_RNA) where: Base-Base interactions energy: -985.276 where: short stacking energy: -451.901 Base-Backbone interact. energy: 0.144 local terms energy: -675.201839 where: bonds (distance) C4'-P energy: -147.131 bonds (distance) P-C4' energy: -163.592 flat angles C4'-P-C4' energy: -164.054 flat angles P-C4'-P energy: -102.404 tors. eta vs tors. theta energy: -98.020 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: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1396.067028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.067028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.067028 (E_RNA) where: Base-Base interactions energy: -828.083 where: short stacking energy: -388.145 Base-Backbone interact. energy: 1.716 local terms energy: -569.699976 where: bonds (distance) C4'-P energy: -151.773 bonds (distance) P-C4' energy: -153.103 flat angles C4'-P-C4' energy: -140.689 flat angles P-C4'-P energy: -58.085 tors. eta vs tors. theta energy: -66.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -998.782508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.782508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.782508 (E_RNA) where: Base-Base interactions energy: -523.866 where: short stacking energy: -303.595 Base-Backbone interact. energy: 6.132 local terms energy: -481.048635 where: bonds (distance) C4'-P energy: -129.030 bonds (distance) P-C4' energy: -138.719 flat angles C4'-P-C4' energy: -137.179 flat angles P-C4'-P energy: -68.794 tors. eta vs tors. theta energy: -7.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -638.291670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.291670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.291670 (E_RNA) where: Base-Base interactions energy: -253.885 where: short stacking energy: -186.866 Base-Backbone interact. energy: 1.452 local terms energy: -385.858128 where: bonds (distance) C4'-P energy: -109.119 bonds (distance) P-C4' energy: -150.323 flat angles C4'-P-C4' energy: -123.784 flat angles P-C4'-P energy: -48.315 tors. eta vs tors. theta energy: 45.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3174.722687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.722687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.722687 (E_RNA) where: Base-Base interactions energy: -2163.727 where: short stacking energy: -908.714 Base-Backbone interact. energy: -5.219 local terms energy: -1005.776571 where: bonds (distance) C4'-P energy: -165.729 bonds (distance) P-C4' energy: -192.660 flat angles C4'-P-C4' energy: -215.367 flat angles P-C4'-P energy: -152.468 tors. eta vs tors. theta energy: -279.552 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: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2907.822071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.822071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.822071 (E_RNA) where: Base-Base interactions energy: -1998.632 where: short stacking energy: -829.229 Base-Backbone interact. energy: -5.966 local terms energy: -903.223600 where: bonds (distance) C4'-P energy: -161.296 bonds (distance) P-C4' energy: -155.678 flat angles C4'-P-C4' energy: -188.277 flat angles P-C4'-P energy: -148.791 tors. eta vs tors. theta energy: -249.182 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: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2884.844923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.844923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.844923 (E_RNA) where: Base-Base interactions energy: -1949.916 where: short stacking energy: -809.653 Base-Backbone interact. energy: 1.260 local terms energy: -936.189205 where: bonds (distance) C4'-P energy: -170.122 bonds (distance) P-C4' energy: -182.450 flat angles C4'-P-C4' energy: -202.160 flat angles P-C4'-P energy: -127.428 tors. eta vs tors. theta energy: -254.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2713.987900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.987900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.987900 (E_RNA) where: Base-Base interactions energy: -1845.663 where: short stacking energy: -755.149 Base-Backbone interact. energy: 0.667 local terms energy: -868.991566 where: bonds (distance) C4'-P energy: -188.736 bonds (distance) P-C4' energy: -150.239 flat angles C4'-P-C4' energy: -193.878 flat angles P-C4'-P energy: -106.277 tors. eta vs tors. theta energy: -229.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2244.421829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.421829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.421829 (E_RNA) where: Base-Base interactions energy: -1480.574 where: short stacking energy: -648.368 Base-Backbone interact. energy: -5.524 local terms energy: -758.323814 where: bonds (distance) C4'-P energy: -146.189 bonds (distance) P-C4' energy: -179.003 flat angles C4'-P-C4' energy: -162.759 flat angles P-C4'-P energy: -102.693 tors. eta vs tors. theta energy: -167.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2079.077568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.077568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.077568 (E_RNA) where: Base-Base interactions energy: -1355.575 where: short stacking energy: -627.938 Base-Backbone interact. energy: -1.719 local terms energy: -721.783506 where: bonds (distance) C4'-P energy: -146.888 bonds (distance) P-C4' energy: -148.806 flat angles C4'-P-C4' energy: -165.775 flat angles P-C4'-P energy: -98.550 tors. eta vs tors. theta energy: -161.765 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: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1658.738435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.738435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.738435 (E_RNA) where: Base-Base interactions energy: -985.501 where: short stacking energy: -453.625 Base-Backbone interact. energy: 2.811 local terms energy: -676.047947 where: bonds (distance) C4'-P energy: -158.666 bonds (distance) P-C4' energy: -161.129 flat angles C4'-P-C4' energy: -162.536 flat angles P-C4'-P energy: -96.469 tors. eta vs tors. theta energy: -97.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1323.193352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.193352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.193352 (E_RNA) where: Base-Base interactions energy: -743.791 where: short stacking energy: -350.938 Base-Backbone interact. energy: 9.498 local terms energy: -588.900187 where: bonds (distance) C4'-P energy: -136.448 bonds (distance) P-C4' energy: -165.822 flat angles C4'-P-C4' energy: -155.749 flat angles P-C4'-P energy: -79.163 tors. eta vs tors. theta energy: -51.717 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: 9, replica: 5 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -987.556697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.556697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.556697 (E_RNA) where: Base-Base interactions energy: -521.528 where: short stacking energy: -281.866 Base-Backbone interact. energy: 0.820 local terms energy: -466.848530 where: bonds (distance) C4'-P energy: -144.979 bonds (distance) P-C4' energy: -151.769 flat angles C4'-P-C4' energy: -125.923 flat angles P-C4'-P energy: -68.364 tors. eta vs tors. theta energy: 24.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -701.487226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.487226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.487226 (E_RNA) where: Base-Base interactions energy: -272.668 where: short stacking energy: -186.770 Base-Backbone interact. energy: -0.635 local terms energy: -428.183875 where: bonds (distance) C4'-P energy: -129.413 bonds (distance) P-C4' energy: -152.746 flat angles C4'-P-C4' energy: -120.632 flat angles P-C4'-P energy: -66.421 tors. eta vs tors. theta energy: 41.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3161.351511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.351511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.351511 (E_RNA) where: Base-Base interactions energy: -2177.394 where: short stacking energy: -903.311 Base-Backbone interact. energy: -5.488 local terms energy: -978.469176 where: bonds (distance) C4'-P energy: -171.062 bonds (distance) P-C4' energy: -180.487 flat angles C4'-P-C4' energy: -217.404 flat angles P-C4'-P energy: -132.586 tors. eta vs tors. theta energy: -276.930 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: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2927.840119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.840119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.840119 (E_RNA) where: Base-Base interactions energy: -1990.464 where: short stacking energy: -798.946 Base-Backbone interact. energy: -3.243 local terms energy: -934.132863 where: bonds (distance) C4'-P energy: -173.293 bonds (distance) P-C4' energy: -174.010 flat angles C4'-P-C4' energy: -205.723 flat angles P-C4'-P energy: -137.150 tors. eta vs tors. theta energy: -243.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2921.301099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.301099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.301099 (E_RNA) where: Base-Base interactions energy: -1971.796 where: short stacking energy: -833.909 Base-Backbone interact. energy: -6.302 local terms energy: -943.203100 where: bonds (distance) C4'-P energy: -170.803 bonds (distance) P-C4' energy: -173.391 flat angles C4'-P-C4' energy: -209.202 flat angles P-C4'-P energy: -129.826 tors. eta vs tors. theta energy: -259.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2716.382815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.382815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.382815 (E_RNA) where: Base-Base interactions energy: -1864.302 where: short stacking energy: -762.770 Base-Backbone interact. energy: -2.306 local terms energy: -849.775586 where: bonds (distance) C4'-P energy: -168.828 bonds (distance) P-C4' energy: -164.849 flat angles C4'-P-C4' energy: -191.501 flat angles P-C4'-P energy: -112.442 tors. eta vs tors. theta energy: -212.156 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: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2328.882183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.882183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.882183 (E_RNA) where: Base-Base interactions energy: -1524.434 where: short stacking energy: -643.413 Base-Backbone interact. energy: -3.338 local terms energy: -801.110620 where: bonds (distance) C4'-P energy: -164.412 bonds (distance) P-C4' energy: -155.536 flat angles C4'-P-C4' energy: -184.701 flat angles P-C4'-P energy: -111.304 tors. eta vs tors. theta energy: -185.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2132.190770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.190770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.190770 (E_RNA) where: Base-Base interactions energy: -1393.204 where: short stacking energy: -594.635 Base-Backbone interact. energy: -1.444 local terms energy: -737.542448 where: bonds (distance) C4'-P energy: -153.190 bonds (distance) P-C4' energy: -166.590 flat angles C4'-P-C4' energy: -163.367 flat angles P-C4'-P energy: -94.250 tors. eta vs tors. theta energy: -160.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1635.556659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.556659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.556659 (E_RNA) where: Base-Base interactions energy: -1021.254 where: short stacking energy: -477.749 Base-Backbone interact. energy: 0.323 local terms energy: -614.625863 where: bonds (distance) C4'-P energy: -134.696 bonds (distance) P-C4' energy: -145.507 flat angles C4'-P-C4' energy: -173.805 flat angles P-C4'-P energy: -78.246 tors. eta vs tors. theta energy: -82.372 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: 8, replica: 1 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1373.849078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.849078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.849078 (E_RNA) where: Base-Base interactions energy: -828.255 where: short stacking energy: -378.301 Base-Backbone interact. energy: -2.187 local terms energy: -543.407583 where: bonds (distance) C4'-P energy: -126.982 bonds (distance) P-C4' energy: -127.187 flat angles C4'-P-C4' energy: -143.668 flat angles P-C4'-P energy: -101.985 tors. eta vs tors. theta energy: -43.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1002.432460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.432460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.432460 (E_RNA) where: Base-Base interactions energy: -496.842 where: short stacking energy: -252.058 Base-Backbone interact. energy: 8.351 local terms energy: -513.942106 where: bonds (distance) C4'-P energy: -138.437 bonds (distance) P-C4' energy: -176.633 flat angles C4'-P-C4' energy: -116.254 flat angles P-C4'-P energy: -80.905 tors. eta vs tors. theta energy: -1.713 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: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -677.254738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.254738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.254738 (E_RNA) where: Base-Base interactions energy: -250.040 where: short stacking energy: -185.248 Base-Backbone interact. energy: -0.660 local terms energy: -426.554939 where: bonds (distance) C4'-P energy: -148.820 bonds (distance) P-C4' energy: -147.668 flat angles C4'-P-C4' energy: -106.726 flat angles P-C4'-P energy: -62.784 tors. eta vs tors. theta energy: 39.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3147.335935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.335935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.335935 (E_RNA) where: Base-Base interactions energy: -2155.346 where: short stacking energy: -901.216 Base-Backbone interact. energy: 0.197 local terms energy: -992.187246 where: bonds (distance) C4'-P energy: -168.663 bonds (distance) P-C4' energy: -181.189 flat angles C4'-P-C4' energy: -203.007 flat angles P-C4'-P energy: -163.455 tors. eta vs tors. theta energy: -275.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2962.995022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.995022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.995022 (E_RNA) where: Base-Base interactions energy: -2038.573 where: short stacking energy: -831.668 Base-Backbone interact. energy: -3.835 local terms energy: -920.586862 where: bonds (distance) C4'-P energy: -160.183 bonds (distance) P-C4' energy: -186.517 flat angles C4'-P-C4' energy: -197.370 flat angles P-C4'-P energy: -126.548 tors. eta vs tors. theta energy: -249.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2891.219648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.219648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.219648 (E_RNA) where: Base-Base interactions energy: -1966.189 where: short stacking energy: -811.801 Base-Backbone interact. energy: -7.204 local terms energy: -917.826891 where: bonds (distance) C4'-P energy: -165.755 bonds (distance) P-C4' energy: -176.695 flat angles C4'-P-C4' energy: -189.397 flat angles P-C4'-P energy: -133.539 tors. eta vs tors. theta energy: -252.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2663.715168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.715168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.715168 (E_RNA) where: Base-Base interactions energy: -1797.728 where: short stacking energy: -755.404 Base-Backbone interact. energy: 0.038 local terms energy: -866.024942 where: bonds (distance) C4'-P energy: -166.929 bonds (distance) P-C4' energy: -187.820 flat angles C4'-P-C4' energy: -192.706 flat angles P-C4'-P energy: -102.264 tors. eta vs tors. theta energy: -216.305 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: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2299.766803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.766803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.766803 (E_RNA) where: Base-Base interactions energy: -1496.558 where: short stacking energy: -652.874 Base-Backbone interact. energy: 0.141 local terms energy: -803.349736 where: bonds (distance) C4'-P energy: -159.688 bonds (distance) P-C4' energy: -167.327 flat angles C4'-P-C4' energy: -182.573 flat angles P-C4'-P energy: -116.935 tors. eta vs tors. theta energy: -176.827 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: 6, replica: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2110.702357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.702357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.702357 (E_RNA) where: Base-Base interactions energy: -1367.351 where: short stacking energy: -623.592 Base-Backbone interact. energy: 2.719 local terms energy: -746.070756 where: bonds (distance) C4'-P energy: -155.916 bonds (distance) P-C4' energy: -143.803 flat angles C4'-P-C4' energy: -160.269 flat angles P-C4'-P energy: -126.136 tors. eta vs tors. theta energy: -159.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1524.207733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.207733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.207733 (E_RNA) where: Base-Base interactions energy: -910.106 where: short stacking energy: -395.865 Base-Backbone interact. energy: 4.212 local terms energy: -618.313519 where: bonds (distance) C4'-P energy: -156.767 bonds (distance) P-C4' energy: -158.743 flat angles C4'-P-C4' energy: -146.837 flat angles P-C4'-P energy: -87.809 tors. eta vs tors. theta energy: -68.157 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: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1315.241148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.241148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.241148 (E_RNA) where: Base-Base interactions energy: -771.296 where: short stacking energy: -364.032 Base-Backbone interact. energy: 3.438 local terms energy: -547.383431 where: bonds (distance) C4'-P energy: -141.033 bonds (distance) P-C4' energy: -171.815 flat angles C4'-P-C4' energy: -126.186 flat angles P-C4'-P energy: -72.322 tors. eta vs tors. theta energy: -36.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -983.144402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.144402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.144402 (E_RNA) where: Base-Base interactions energy: -457.879 where: short stacking energy: -242.121 Base-Backbone interact. energy: 1.017 local terms energy: -526.282040 where: bonds (distance) C4'-P energy: -135.441 bonds (distance) P-C4' energy: -156.296 flat angles C4'-P-C4' energy: -153.028 flat angles P-C4'-P energy: -82.231 tors. eta vs tors. theta energy: 0.713 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: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -650.349617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.349617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.349617 (E_RNA) where: Base-Base interactions energy: -235.972 where: short stacking energy: -145.841 Base-Backbone interact. energy: 1.194 local terms energy: -415.570981 where: bonds (distance) C4'-P energy: -125.704 bonds (distance) P-C4' energy: -158.357 flat angles C4'-P-C4' energy: -118.917 flat angles P-C4'-P energy: -63.094 tors. eta vs tors. theta energy: 50.502 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: 7 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3166.289768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.289768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.289768 (E_RNA) where: Base-Base interactions energy: -2148.170 where: short stacking energy: -880.122 Base-Backbone interact. energy: -4.616 local terms energy: -1013.502975 where: bonds (distance) C4'-P energy: -184.525 bonds (distance) P-C4' energy: -194.618 flat angles C4'-P-C4' energy: -207.315 flat angles P-C4'-P energy: -145.083 tors. eta vs tors. theta energy: -281.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2927.895689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.895689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.895689 (E_RNA) where: Base-Base interactions energy: -1993.328 where: short stacking energy: -802.488 Base-Backbone interact. energy: -2.405 local terms energy: -932.162060 where: bonds (distance) C4'-P energy: -179.315 bonds (distance) P-C4' energy: -180.645 flat angles C4'-P-C4' energy: -198.052 flat angles P-C4'-P energy: -129.705 tors. eta vs tors. theta energy: -244.445 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: 3, replica: 10 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2850.836271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.836271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.836271 (E_RNA) where: Base-Base interactions energy: -1940.768 where: short stacking energy: -803.975 Base-Backbone interact. energy: 4.718 local terms energy: -914.785509 where: bonds (distance) C4'-P energy: -167.649 bonds (distance) P-C4' energy: -168.215 flat angles C4'-P-C4' energy: -203.059 flat angles P-C4'-P energy: -135.691 tors. eta vs tors. theta energy: -240.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2685.925877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.925877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.925877 (E_RNA) where: Base-Base interactions energy: -1814.170 where: short stacking energy: -751.287 Base-Backbone interact. energy: 4.147 local terms energy: -875.903356 where: bonds (distance) C4'-P energy: -161.064 bonds (distance) P-C4' energy: -174.321 flat angles C4'-P-C4' energy: -186.119 flat angles P-C4'-P energy: -131.926 tors. eta vs tors. theta energy: -222.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2356.782550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.782550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.782550 (E_RNA) where: Base-Base interactions energy: -1576.654 where: short stacking energy: -635.787 Base-Backbone interact. energy: -3.586 local terms energy: -776.541970 where: bonds (distance) C4'-P energy: -158.874 bonds (distance) P-C4' energy: -143.229 flat angles C4'-P-C4' energy: -167.852 flat angles P-C4'-P energy: -132.621 tors. eta vs tors. theta energy: -173.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2208.132024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.132024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.132024 (E_RNA) where: Base-Base interactions energy: -1416.739 where: short stacking energy: -657.027 Base-Backbone interact. energy: -1.682 local terms energy: -789.710751 where: bonds (distance) C4'-P energy: -153.895 bonds (distance) P-C4' energy: -177.061 flat angles C4'-P-C4' energy: -185.960 flat angles P-C4'-P energy: -106.803 tors. eta vs tors. theta energy: -165.992 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: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1610.377258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.377258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.377258 (E_RNA) where: Base-Base interactions energy: -957.890 where: short stacking energy: -457.340 Base-Backbone interact. energy: 0.122 local terms energy: -652.609666 where: bonds (distance) C4'-P energy: -143.691 bonds (distance) P-C4' energy: -153.385 flat angles C4'-P-C4' energy: -150.399 flat angles P-C4'-P energy: -102.745 tors. eta vs tors. theta energy: -102.389 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: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1405.745538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.745538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.745538 (E_RNA) where: Base-Base interactions energy: -828.710 where: short stacking energy: -380.915 Base-Backbone interact. energy: 1.782 local terms energy: -578.817185 where: bonds (distance) C4'-P energy: -172.992 bonds (distance) P-C4' energy: -156.904 flat angles C4'-P-C4' energy: -141.389 flat angles P-C4'-P energy: -77.946 tors. eta vs tors. theta energy: -29.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -991.339952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.339952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.339952 (E_RNA) where: Base-Base interactions energy: -506.052 where: short stacking energy: -281.440 Base-Backbone interact. energy: -3.402 local terms energy: -481.885521 where: bonds (distance) C4'-P energy: -145.944 bonds (distance) P-C4' energy: -151.150 flat angles C4'-P-C4' energy: -130.539 flat angles P-C4'-P energy: -63.900 tors. eta vs tors. theta energy: 9.647 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: 10, replica: 8 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -716.151298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.151298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.151298 (E_RNA) where: Base-Base interactions energy: -248.139 where: short stacking energy: -181.350 Base-Backbone interact. energy: -0.714 local terms energy: -467.298162 where: bonds (distance) C4'-P energy: -149.240 bonds (distance) P-C4' energy: -146.721 flat angles C4'-P-C4' energy: -120.419 flat angles P-C4'-P energy: -64.828 tors. eta vs tors. theta energy: 13.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3146.049848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.049848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.049848 (E_RNA) where: Base-Base interactions energy: -2150.223 where: short stacking energy: -875.565 Base-Backbone interact. energy: -3.545 local terms energy: -992.282244 where: bonds (distance) C4'-P energy: -184.370 bonds (distance) P-C4' energy: -186.849 flat angles C4'-P-C4' energy: -211.856 flat angles P-C4'-P energy: -142.068 tors. eta vs tors. theta energy: -267.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2943.184348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.184348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.184348 (E_RNA) where: Base-Base interactions energy: -2005.889 where: short stacking energy: -818.571 Base-Backbone interact. energy: -1.689 local terms energy: -935.606920 where: bonds (distance) C4'-P energy: -166.620 bonds (distance) P-C4' energy: -183.298 flat angles C4'-P-C4' energy: -209.090 flat angles P-C4'-P energy: -135.970 tors. eta vs tors. theta energy: -240.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2846.323190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.323190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.323190 (E_RNA) where: Base-Base interactions energy: -1938.489 where: short stacking energy: -814.391 Base-Backbone interact. energy: 0.979 local terms energy: -908.812482 where: bonds (distance) C4'-P energy: -183.271 bonds (distance) P-C4' energy: -165.005 flat angles C4'-P-C4' energy: -196.475 flat angles P-C4'-P energy: -131.426 tors. eta vs tors. theta energy: -232.636 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: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2677.111910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.111910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.111910 (E_RNA) where: Base-Base interactions energy: -1868.840 where: short stacking energy: -786.687 Base-Backbone interact. energy: -0.612 local terms energy: -807.660824 where: bonds (distance) C4'-P energy: -145.135 bonds (distance) P-C4' energy: -155.915 flat angles C4'-P-C4' energy: -191.077 flat angles P-C4'-P energy: -104.024 tors. eta vs tors. theta energy: -211.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2365.301554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.301554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.301554 (E_RNA) where: Base-Base interactions energy: -1582.781 where: short stacking energy: -648.419 Base-Backbone interact. energy: 1.307 local terms energy: -783.827673 where: bonds (distance) C4'-P energy: -155.623 bonds (distance) P-C4' energy: -177.520 flat angles C4'-P-C4' energy: -167.740 flat angles P-C4'-P energy: -119.325 tors. eta vs tors. theta energy: -163.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2194.891749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.891749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.891749 (E_RNA) where: Base-Base interactions energy: -1458.127 where: short stacking energy: -635.787 Base-Backbone interact. energy: 3.567 local terms energy: -740.331365 where: bonds (distance) C4'-P energy: -157.052 bonds (distance) P-C4' energy: -140.784 flat angles C4'-P-C4' energy: -171.733 flat angles P-C4'-P energy: -99.337 tors. eta vs tors. theta energy: -171.425 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: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1654.375235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.375235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.375235 (E_RNA) where: Base-Base interactions energy: -1009.034 where: short stacking energy: -469.250 Base-Backbone interact. energy: -1.904 local terms energy: -643.436960 where: bonds (distance) C4'-P energy: -147.857 bonds (distance) P-C4' energy: -127.457 flat angles C4'-P-C4' energy: -167.559 flat angles P-C4'-P energy: -88.782 tors. eta vs tors. theta energy: -111.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1385.447486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.447486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.447486 (E_RNA) where: Base-Base interactions energy: -798.995 where: short stacking energy: -390.712 Base-Backbone interact. energy: 1.857 local terms energy: -588.309750 where: bonds (distance) C4'-P energy: -150.928 bonds (distance) P-C4' energy: -159.300 flat angles C4'-P-C4' energy: -146.878 flat angles P-C4'-P energy: -72.268 tors. eta vs tors. theta energy: -58.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -945.399615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.399615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.399615 (E_RNA) where: Base-Base interactions energy: -417.725 where: short stacking energy: -238.610 Base-Backbone interact. energy: 1.762 local terms energy: -529.436363 where: bonds (distance) C4'-P energy: -149.093 bonds (distance) P-C4' energy: -161.065 flat angles C4'-P-C4' energy: -119.598 flat angles P-C4'-P energy: -104.109 tors. eta vs tors. theta energy: 4.428 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: 10, replica: 8 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -686.452705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.452705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.452705 (E_RNA) where: Base-Base interactions energy: -234.217 where: short stacking energy: -180.086 Base-Backbone interact. energy: 8.541 local terms energy: -460.776855 where: bonds (distance) C4'-P energy: -130.809 bonds (distance) P-C4' energy: -152.104 flat angles C4'-P-C4' energy: -119.991 flat angles P-C4'-P energy: -101.142 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: 1, replica: 7 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3159.834776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.834776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.834776 (E_RNA) where: Base-Base interactions energy: -2152.732 where: short stacking energy: -882.268 Base-Backbone interact. energy: -4.944 local terms energy: -1002.158159 where: bonds (distance) C4'-P energy: -194.931 bonds (distance) P-C4' energy: -190.387 flat angles C4'-P-C4' energy: -212.257 flat angles P-C4'-P energy: -145.676 tors. eta vs tors. theta energy: -258.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2965.319490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.319490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.319490 (E_RNA) where: Base-Base interactions energy: -2066.646 where: short stacking energy: -825.463 Base-Backbone interact. energy: -1.459 local terms energy: -897.214584 where: bonds (distance) C4'-P energy: -174.227 bonds (distance) P-C4' energy: -168.176 flat angles C4'-P-C4' energy: -190.144 flat angles P-C4'-P energy: -131.686 tors. eta vs tors. theta energy: -232.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2817.849727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.849727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.849727 (E_RNA) where: Base-Base interactions energy: -1931.981 where: short stacking energy: -810.271 Base-Backbone interact. energy: -3.643 local terms energy: -882.225579 where: bonds (distance) C4'-P energy: -172.508 bonds (distance) P-C4' energy: -165.242 flat angles C4'-P-C4' energy: -198.158 flat angles P-C4'-P energy: -120.101 tors. eta vs tors. theta energy: -226.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2649.631261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.631261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.631261 (E_RNA) where: Base-Base interactions energy: -1785.737 where: short stacking energy: -745.617 Base-Backbone interact. energy: -4.649 local terms energy: -859.245467 where: bonds (distance) C4'-P energy: -164.407 bonds (distance) P-C4' energy: -165.775 flat angles C4'-P-C4' energy: -200.101 flat angles P-C4'-P energy: -119.048 tors. eta vs tors. theta energy: -209.915 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: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2426.486726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.486726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.486726 (E_RNA) where: Base-Base interactions energy: -1593.518 where: short stacking energy: -677.024 Base-Backbone interact. energy: 1.536 local terms energy: -834.504436 where: bonds (distance) C4'-P energy: -186.619 bonds (distance) P-C4' energy: -161.893 flat angles C4'-P-C4' energy: -185.222 flat angles P-C4'-P energy: -106.778 tors. eta vs tors. theta energy: -193.992 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: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2087.217828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.217828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.217828 (E_RNA) where: Base-Base interactions energy: -1337.978 where: short stacking energy: -554.409 Base-Backbone interact. energy: -2.300 local terms energy: -746.938854 where: bonds (distance) C4'-P energy: -152.722 bonds (distance) P-C4' energy: -162.438 flat angles C4'-P-C4' energy: -163.319 flat angles P-C4'-P energy: -118.270 tors. eta vs tors. theta energy: -150.190 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: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1620.341588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.341588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.341588 (E_RNA) where: Base-Base interactions energy: -995.430 where: short stacking energy: -439.970 Base-Backbone interact. energy: 0.385 local terms energy: -625.296407 where: bonds (distance) C4'-P energy: -139.550 bonds (distance) P-C4' energy: -159.628 flat angles C4'-P-C4' energy: -157.012 flat angles P-C4'-P energy: -87.272 tors. eta vs tors. theta energy: -81.835 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: 8, replica: 1 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1325.849701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.849701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.849701 (E_RNA) where: Base-Base interactions energy: -744.886 where: short stacking energy: -378.771 Base-Backbone interact. energy: 3.933 local terms energy: -584.896367 where: bonds (distance) C4'-P energy: -151.340 bonds (distance) P-C4' energy: -169.436 flat angles C4'-P-C4' energy: -134.268 flat angles P-C4'-P energy: -78.721 tors. eta vs tors. theta energy: -51.132 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: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -939.781894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.781894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.781894 (E_RNA) where: Base-Base interactions energy: -452.284 where: short stacking energy: -271.386 Base-Backbone interact. energy: 0.160 local terms energy: -487.657474 where: bonds (distance) C4'-P energy: -141.720 bonds (distance) P-C4' energy: -162.882 flat angles C4'-P-C4' energy: -117.988 flat angles P-C4'-P energy: -61.959 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -742.929886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.929886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.929886 (E_RNA) where: Base-Base interactions energy: -294.856 where: short stacking energy: -228.831 Base-Backbone interact. energy: 1.796 local terms energy: -449.869192 where: bonds (distance) C4'-P energy: -141.109 bonds (distance) P-C4' energy: -161.465 flat angles C4'-P-C4' energy: -91.019 flat angles P-C4'-P energy: -59.550 tors. eta vs tors. theta energy: 3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3159.124832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.124832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.124832 (E_RNA) where: Base-Base interactions energy: -2179.396 where: short stacking energy: -893.280 Base-Backbone interact. energy: -1.680 local terms energy: -978.049616 where: bonds (distance) C4'-P energy: -199.729 bonds (distance) P-C4' energy: -169.010 flat angles C4'-P-C4' energy: -206.597 flat angles P-C4'-P energy: -135.553 tors. eta vs tors. theta energy: -267.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2955.825719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.825719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.825719 (E_RNA) where: Base-Base interactions energy: -2049.750 where: short stacking energy: -821.242 Base-Backbone interact. energy: -0.685 local terms energy: -905.390191 where: bonds (distance) C4'-P energy: -168.495 bonds (distance) P-C4' energy: -166.938 flat angles C4'-P-C4' energy: -194.711 flat angles P-C4'-P energy: -131.697 tors. eta vs tors. theta energy: -243.549 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: 3, replica: 10 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2857.586739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.586739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.586739 (E_RNA) where: Base-Base interactions energy: -1942.512 where: short stacking energy: -815.513 Base-Backbone interact. energy: -4.208 local terms energy: -910.866379 where: bonds (distance) C4'-P energy: -168.381 bonds (distance) P-C4' energy: -169.112 flat angles C4'-P-C4' energy: -196.605 flat angles P-C4'-P energy: -131.980 tors. eta vs tors. theta energy: -244.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2691.444529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.444529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.444529 (E_RNA) where: Base-Base interactions energy: -1818.020 where: short stacking energy: -751.031 Base-Backbone interact. energy: -0.454 local terms energy: -872.970607 where: bonds (distance) C4'-P energy: -163.683 bonds (distance) P-C4' energy: -161.164 flat angles C4'-P-C4' energy: -191.911 flat angles P-C4'-P energy: -130.556 tors. eta vs tors. theta energy: -225.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2421.039257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.039257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.039257 (E_RNA) where: Base-Base interactions energy: -1582.632 where: short stacking energy: -696.813 Base-Backbone interact. energy: -3.318 local terms energy: -835.088518 where: bonds (distance) C4'-P energy: -172.223 bonds (distance) P-C4' energy: -162.551 flat angles C4'-P-C4' energy: -181.299 flat angles P-C4'-P energy: -115.650 tors. eta vs tors. theta energy: -203.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2084.310390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.310390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.310390 (E_RNA) where: Base-Base interactions energy: -1343.445 where: short stacking energy: -592.462 Base-Backbone interact. energy: -0.225 local terms energy: -740.641114 where: bonds (distance) C4'-P energy: -162.486 bonds (distance) P-C4' energy: -139.535 flat angles C4'-P-C4' energy: -182.303 flat angles P-C4'-P energy: -111.580 tors. eta vs tors. theta energy: -144.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1614.759297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.759297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.759297 (E_RNA) where: Base-Base interactions energy: -948.314 where: short stacking energy: -432.047 Base-Backbone interact. energy: -0.165 local terms energy: -666.279979 where: bonds (distance) C4'-P energy: -162.111 bonds (distance) P-C4' energy: -164.188 flat angles C4'-P-C4' energy: -160.031 flat angles P-C4'-P energy: -97.303 tors. eta vs tors. theta energy: -82.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1332.063625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.063625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.063625 (E_RNA) where: Base-Base interactions energy: -736.048 where: short stacking energy: -363.557 Base-Backbone interact. energy: 2.367 local terms energy: -598.383236 where: bonds (distance) C4'-P energy: -141.734 bonds (distance) P-C4' energy: -158.182 flat angles C4'-P-C4' energy: -160.815 flat angles P-C4'-P energy: -76.874 tors. eta vs tors. theta energy: -60.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -923.857381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.857381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.857381 (E_RNA) where: Base-Base interactions energy: -456.820 where: short stacking energy: -251.594 Base-Backbone interact. energy: -3.819 local terms energy: -463.218505 where: bonds (distance) C4'-P energy: -133.229 bonds (distance) P-C4' energy: -150.995 flat angles C4'-P-C4' energy: -140.605 flat angles P-C4'-P energy: -73.905 tors. eta vs tors. theta energy: 35.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -702.549942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.549942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.549942 (E_RNA) where: Base-Base interactions energy: -269.728 where: short stacking energy: -188.846 Base-Backbone interact. energy: -1.299 local terms energy: -431.523574 where: bonds (distance) C4'-P energy: -122.586 bonds (distance) P-C4' energy: -158.621 flat angles C4'-P-C4' energy: -112.093 flat angles P-C4'-P energy: -66.138 tors. eta vs tors. theta energy: 27.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3109.376848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.376848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.376848 (E_RNA) where: Base-Base interactions energy: -2131.179 where: short stacking energy: -893.344 Base-Backbone interact. energy: -2.115 local terms energy: -976.083458 where: bonds (distance) C4'-P energy: -189.297 bonds (distance) P-C4' energy: -170.933 flat angles C4'-P-C4' energy: -211.900 flat angles P-C4'-P energy: -131.685 tors. eta vs tors. theta energy: -272.268 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: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2948.861570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.861570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.861570 (E_RNA) where: Base-Base interactions energy: -2058.754 where: short stacking energy: -805.896 Base-Backbone interact. energy: -5.202 local terms energy: -884.905682 where: bonds (distance) C4'-P energy: -152.500 bonds (distance) P-C4' energy: -174.690 flat angles C4'-P-C4' energy: -185.711 flat angles P-C4'-P energy: -140.903 tors. eta vs tors. theta energy: -231.101 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: 3, replica: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2900.992680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.992680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.992680 (E_RNA) where: Base-Base interactions energy: -1957.773 where: short stacking energy: -855.876 Base-Backbone interact. energy: -5.070 local terms energy: -938.149635 where: bonds (distance) C4'-P energy: -168.261 bonds (distance) P-C4' energy: -170.234 flat angles C4'-P-C4' energy: -200.123 flat angles P-C4'-P energy: -146.113 tors. eta vs tors. theta energy: -253.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2730.766785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.766785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.766785 (E_RNA) where: Base-Base interactions energy: -1845.238 where: short stacking energy: -751.818 Base-Backbone interact. energy: -2.507 local terms energy: -883.021365 where: bonds (distance) C4'-P energy: -187.239 bonds (distance) P-C4' energy: -171.666 flat angles C4'-P-C4' energy: -191.884 flat angles P-C4'-P energy: -123.248 tors. eta vs tors. theta energy: -208.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2441.422776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.422776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.422776 (E_RNA) where: Base-Base interactions energy: -1604.317 where: short stacking energy: -683.230 Base-Backbone interact. energy: -3.367 local terms energy: -833.738933 where: bonds (distance) C4'-P energy: -182.061 bonds (distance) P-C4' energy: -151.766 flat angles C4'-P-C4' energy: -180.105 flat angles P-C4'-P energy: -130.675 tors. eta vs tors. theta energy: -189.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2089.757389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.757389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.757389 (E_RNA) where: Base-Base interactions energy: -1346.015 where: short stacking energy: -585.377 Base-Backbone interact. energy: 2.240 local terms energy: -745.982628 where: bonds (distance) C4'-P energy: -172.252 bonds (distance) P-C4' energy: -162.537 flat angles C4'-P-C4' energy: -158.012 flat angles P-C4'-P energy: -97.135 tors. eta vs tors. theta energy: -156.046 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: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1590.059412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.059412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.059412 (E_RNA) where: Base-Base interactions energy: -935.592 where: short stacking energy: -422.588 Base-Backbone interact. energy: -1.598 local terms energy: -652.869799 where: bonds (distance) C4'-P energy: -169.372 bonds (distance) P-C4' energy: -144.077 flat angles C4'-P-C4' energy: -142.456 flat angles P-C4'-P energy: -116.099 tors. eta vs tors. theta energy: -80.866 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: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1326.496225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.496225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.496225 (E_RNA) where: Base-Base interactions energy: -770.833 where: short stacking energy: -332.557 Base-Backbone interact. energy: 0.010 local terms energy: -555.673334 where: bonds (distance) C4'-P energy: -146.251 bonds (distance) P-C4' energy: -147.669 flat angles C4'-P-C4' energy: -135.321 flat angles P-C4'-P energy: -92.002 tors. eta vs tors. theta energy: -34.430 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: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -929.568727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.568727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.568727 (E_RNA) where: Base-Base interactions energy: -428.264 where: short stacking energy: -249.947 Base-Backbone interact. energy: 4.980 local terms energy: -506.284326 where: bonds (distance) C4'-P energy: -163.181 bonds (distance) P-C4' energy: -146.268 flat angles C4'-P-C4' energy: -133.031 flat angles P-C4'-P energy: -78.277 tors. eta vs tors. theta energy: 14.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -746.411830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.411830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.411830 (E_RNA) where: Base-Base interactions energy: -310.418 where: short stacking energy: -205.655 Base-Backbone interact. energy: -7.510 local terms energy: -428.483786 where: bonds (distance) C4'-P energy: -141.779 bonds (distance) P-C4' energy: -151.657 flat angles C4'-P-C4' energy: -109.232 flat angles P-C4'-P energy: -56.224 tors. eta vs tors. theta energy: 30.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3143.788329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.788329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.788329 (E_RNA) where: Base-Base interactions energy: -2155.623 where: short stacking energy: -882.847 Base-Backbone interact. energy: -4.805 local terms energy: -983.359469 where: bonds (distance) C4'-P energy: -176.768 bonds (distance) P-C4' energy: -191.108 flat angles C4'-P-C4' energy: -211.539 flat angles P-C4'-P energy: -129.171 tors. eta vs tors. theta energy: -274.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2952.586347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.586347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.586347 (E_RNA) where: Base-Base interactions energy: -1997.981 where: short stacking energy: -799.903 Base-Backbone interact. energy: -4.009 local terms energy: -950.596601 where: bonds (distance) C4'-P energy: -175.570 bonds (distance) P-C4' energy: -174.845 flat angles C4'-P-C4' energy: -200.264 flat angles P-C4'-P energy: -156.220 tors. eta vs tors. theta energy: -243.697 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: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2827.424820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.424820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.424820 (E_RNA) where: Base-Base interactions energy: -1926.661 where: short stacking energy: -804.586 Base-Backbone interact. energy: -6.547 local terms energy: -894.217619 where: bonds (distance) C4'-P energy: -159.908 bonds (distance) P-C4' energy: -175.774 flat angles C4'-P-C4' energy: -196.797 flat angles P-C4'-P energy: -121.161 tors. eta vs tors. theta energy: -240.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2689.779270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.779270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.779270 (E_RNA) where: Base-Base interactions energy: -1812.023 where: short stacking energy: -769.285 Base-Backbone interact. energy: -4.685 local terms energy: -873.071817 where: bonds (distance) C4'-P energy: -170.217 bonds (distance) P-C4' energy: -159.346 flat angles C4'-P-C4' energy: -185.370 flat angles P-C4'-P energy: -134.326 tors. eta vs tors. theta energy: -223.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2381.766165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.766165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.766165 (E_RNA) where: Base-Base interactions energy: -1586.789 where: short stacking energy: -659.371 Base-Backbone interact. energy: -3.204 local terms energy: -791.773653 where: bonds (distance) C4'-P energy: -155.823 bonds (distance) P-C4' energy: -162.318 flat angles C4'-P-C4' energy: -179.267 flat angles P-C4'-P energy: -114.185 tors. eta vs tors. theta energy: -180.180 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: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2071.415670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.415670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.415670 (E_RNA) where: Base-Base interactions energy: -1343.366 where: short stacking energy: -572.481 Base-Backbone interact. energy: 0.247 local terms energy: -728.296860 where: bonds (distance) C4'-P energy: -165.150 bonds (distance) P-C4' energy: -147.868 flat angles C4'-P-C4' energy: -166.837 flat angles P-C4'-P energy: -110.855 tors. eta vs tors. theta energy: -137.586 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: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1555.477094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.477094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.477094 (E_RNA) where: Base-Base interactions energy: -956.308 where: short stacking energy: -444.522 Base-Backbone interact. energy: -1.139 local terms energy: -598.029597 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -148.821 flat angles C4'-P-C4' energy: -153.390 flat angles P-C4'-P energy: -90.337 tors. eta vs tors. theta energy: -72.580 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: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1358.343492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.343492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.343492 (E_RNA) where: Base-Base interactions energy: -779.847 where: short stacking energy: -365.466 Base-Backbone interact. energy: -4.456 local terms energy: -574.039689 where: bonds (distance) C4'-P energy: -159.990 bonds (distance) P-C4' energy: -154.507 flat angles C4'-P-C4' energy: -133.534 flat angles P-C4'-P energy: -91.704 tors. eta vs tors. theta energy: -34.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -948.032616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.032616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.032616 (E_RNA) where: Base-Base interactions energy: -445.475 where: short stacking energy: -255.496 Base-Backbone interact. energy: 0.998 local terms energy: -503.555977 where: bonds (distance) C4'-P energy: -156.674 bonds (distance) P-C4' energy: -141.706 flat angles C4'-P-C4' energy: -117.393 flat angles P-C4'-P energy: -89.962 tors. eta vs tors. theta energy: 2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -671.302600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.302600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.302600 (E_RNA) where: Base-Base interactions energy: -249.041 where: short stacking energy: -140.131 Base-Backbone interact. energy: 1.253 local terms energy: -423.514968 where: bonds (distance) C4'-P energy: -144.814 bonds (distance) P-C4' energy: -152.007 flat angles C4'-P-C4' energy: -118.156 flat angles P-C4'-P energy: -57.524 tors. eta vs tors. theta energy: 48.985 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: 1, replica: 7 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3147.552466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.552466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.552466 (E_RNA) where: Base-Base interactions energy: -2139.661 where: short stacking energy: -922.266 Base-Backbone interact. energy: -3.231 local terms energy: -1004.660127 where: bonds (distance) C4'-P energy: -187.591 bonds (distance) P-C4' energy: -185.565 flat angles C4'-P-C4' energy: -209.002 flat angles P-C4'-P energy: -148.795 tors. eta vs tors. theta energy: -273.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2947.623713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.623713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.623713 (E_RNA) where: Base-Base interactions energy: -2033.958 where: short stacking energy: -807.016 Base-Backbone interact. energy: -2.979 local terms energy: -910.686138 where: bonds (distance) C4'-P energy: -171.513 bonds (distance) P-C4' energy: -175.815 flat angles C4'-P-C4' energy: -209.692 flat angles P-C4'-P energy: -119.387 tors. eta vs tors. theta energy: -234.279 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: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2787.627055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.627055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.627055 (E_RNA) where: Base-Base interactions energy: -1902.706 where: short stacking energy: -798.948 Base-Backbone interact. energy: -1.695 local terms energy: -883.225670 where: bonds (distance) C4'-P energy: -183.059 bonds (distance) P-C4' energy: -180.797 flat angles C4'-P-C4' energy: -179.388 flat angles P-C4'-P energy: -121.537 tors. eta vs tors. theta energy: -218.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2715.014797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.014797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.014797 (E_RNA) where: Base-Base interactions energy: -1852.510 where: short stacking energy: -771.596 Base-Backbone interact. energy: 0.612 local terms energy: -863.116680 where: bonds (distance) C4'-P energy: -154.494 bonds (distance) P-C4' energy: -157.682 flat angles C4'-P-C4' energy: -194.642 flat angles P-C4'-P energy: -115.490 tors. eta vs tors. theta energy: -240.809 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: 450 Temperature: 1.100000 Total energy: -2360.389635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.389635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.389635 (E_RNA) where: Base-Base interactions energy: -1538.446 where: short stacking energy: -662.256 Base-Backbone interact. energy: -4.964 local terms energy: -816.979386 where: bonds (distance) C4'-P energy: -170.437 bonds (distance) P-C4' energy: -176.825 flat angles C4'-P-C4' energy: -165.919 flat angles P-C4'-P energy: -115.308 tors. eta vs tors. theta energy: -188.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2100.036233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.036233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.036233 (E_RNA) where: Base-Base interactions energy: -1383.448 where: short stacking energy: -578.342 Base-Backbone interact. energy: -2.631 local terms energy: -713.957635 where: bonds (distance) C4'-P energy: -138.141 bonds (distance) P-C4' energy: -166.307 flat angles C4'-P-C4' energy: -173.853 flat angles P-C4'-P energy: -87.117 tors. eta vs tors. theta energy: -148.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1552.033193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.033193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.033193 (E_RNA) where: Base-Base interactions energy: -929.032 where: short stacking energy: -418.533 Base-Backbone interact. energy: 1.390 local terms energy: -624.390726 where: bonds (distance) C4'-P energy: -158.273 bonds (distance) P-C4' energy: -173.819 flat angles C4'-P-C4' energy: -153.742 flat angles P-C4'-P energy: -78.718 tors. eta vs tors. theta energy: -59.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1322.085080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.085080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.085080 (E_RNA) where: Base-Base interactions energy: -750.363 where: short stacking energy: -351.121 Base-Backbone interact. energy: 0.898 local terms energy: -572.620263 where: bonds (distance) C4'-P energy: -138.259 bonds (distance) P-C4' energy: -141.119 flat angles C4'-P-C4' energy: -172.074 flat angles P-C4'-P energy: -88.187 tors. eta vs tors. theta energy: -32.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -924.517675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.517675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.517675 (E_RNA) where: Base-Base interactions energy: -414.449 where: short stacking energy: -240.942 Base-Backbone interact. energy: -4.837 local terms energy: -505.231363 where: bonds (distance) C4'-P energy: -139.218 bonds (distance) P-C4' energy: -149.571 flat angles C4'-P-C4' energy: -137.671 flat angles P-C4'-P energy: -75.747 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -656.789123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.789123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.789123 (E_RNA) where: Base-Base interactions energy: -231.041 where: short stacking energy: -202.714 Base-Backbone interact. energy: -0.138 local terms energy: -425.610089 where: bonds (distance) C4'-P energy: -129.254 bonds (distance) P-C4' energy: -143.120 flat angles C4'-P-C4' energy: -126.383 flat angles P-C4'-P energy: -73.911 tors. eta vs tors. theta energy: 47.057 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: 7 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3158.626410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.626410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.626410 (E_RNA) where: Base-Base interactions energy: -2167.772 where: short stacking energy: -874.949 Base-Backbone interact. energy: -4.357 local terms energy: -986.496812 where: bonds (distance) C4'-P energy: -178.057 bonds (distance) P-C4' energy: -200.220 flat angles C4'-P-C4' energy: -189.079 flat angles P-C4'-P energy: -149.144 tors. eta vs tors. theta energy: -269.996 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: 2, replica: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2966.224212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.224212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.224212 (E_RNA) where: Base-Base interactions energy: -2032.744 where: short stacking energy: -828.820 Base-Backbone interact. energy: -7.427 local terms energy: -926.053416 where: bonds (distance) C4'-P energy: -176.573 bonds (distance) P-C4' energy: -166.480 flat angles C4'-P-C4' energy: -205.504 flat angles P-C4'-P energy: -136.168 tors. eta vs tors. theta energy: -241.329 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: 3, replica: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2823.530494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.530494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.530494 (E_RNA) where: Base-Base interactions energy: -1896.730 where: short stacking energy: -806.569 Base-Backbone interact. energy: -6.964 local terms energy: -919.835984 where: bonds (distance) C4'-P energy: -160.276 bonds (distance) P-C4' energy: -182.931 flat angles C4'-P-C4' energy: -196.617 flat angles P-C4'-P energy: -132.569 tors. eta vs tors. theta energy: -247.442 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: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2751.856673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.856673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.856673 (E_RNA) where: Base-Base interactions energy: -1861.419 where: short stacking energy: -769.447 Base-Backbone interact. energy: 0.819 local terms energy: -891.256480 where: bonds (distance) C4'-P energy: -175.290 bonds (distance) P-C4' energy: -172.897 flat angles C4'-P-C4' energy: -176.986 flat angles P-C4'-P energy: -133.705 tors. eta vs tors. theta energy: -232.377 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: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2397.356929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.356929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.356929 (E_RNA) where: Base-Base interactions energy: -1605.196 where: short stacking energy: -711.812 Base-Backbone interact. energy: 2.366 local terms energy: -794.527350 where: bonds (distance) C4'-P energy: -147.772 bonds (distance) P-C4' energy: -159.159 flat angles C4'-P-C4' energy: -179.797 flat angles P-C4'-P energy: -118.391 tors. eta vs tors. theta energy: -189.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2132.790052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.790052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.790052 (E_RNA) where: Base-Base interactions energy: -1390.637 where: short stacking energy: -629.498 Base-Backbone interact. energy: 1.091 local terms energy: -743.244378 where: bonds (distance) C4'-P energy: -130.240 bonds (distance) P-C4' energy: -168.743 flat angles C4'-P-C4' energy: -172.522 flat angles P-C4'-P energy: -119.278 tors. eta vs tors. theta energy: -152.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1631.649826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.649826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.649826 (E_RNA) where: Base-Base interactions energy: -1014.011 where: short stacking energy: -452.049 Base-Backbone interact. energy: 0.878 local terms energy: -618.517167 where: bonds (distance) C4'-P energy: -151.581 bonds (distance) P-C4' energy: -150.244 flat angles C4'-P-C4' energy: -154.940 flat angles P-C4'-P energy: -95.731 tors. eta vs tors. theta energy: -66.021 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: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1303.868327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.868327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.868327 (E_RNA) where: Base-Base interactions energy: -731.417 where: short stacking energy: -357.671 Base-Backbone interact. energy: 0.820 local terms energy: -573.271711 where: bonds (distance) C4'-P energy: -130.454 bonds (distance) P-C4' energy: -129.214 flat angles C4'-P-C4' energy: -149.386 flat angles P-C4'-P energy: -103.290 tors. eta vs tors. theta energy: -60.928 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: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -913.931693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.931693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.931693 (E_RNA) where: Base-Base interactions energy: -395.636 where: short stacking energy: -220.377 Base-Backbone interact. energy: 2.301 local terms energy: -520.596864 where: bonds (distance) C4'-P energy: -150.291 bonds (distance) P-C4' energy: -176.334 flat angles C4'-P-C4' energy: -122.907 flat angles P-C4'-P energy: -81.613 tors. eta vs tors. theta energy: 10.549 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: 8 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -651.428145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.428145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.428145 (E_RNA) where: Base-Base interactions energy: -193.026 where: short stacking energy: -140.925 Base-Backbone interact. energy: 1.621 local terms energy: -460.023816 where: bonds (distance) C4'-P energy: -134.432 bonds (distance) P-C4' energy: -166.834 flat angles C4'-P-C4' energy: -104.301 flat angles P-C4'-P energy: -95.821 tors. eta vs tors. theta energy: 41.364 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: 7 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3122.481210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.481210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.481210 (E_RNA) where: Base-Base interactions energy: -2146.144 where: short stacking energy: -852.492 Base-Backbone interact. energy: -6.285 local terms energy: -970.051363 where: bonds (distance) C4'-P energy: -189.673 bonds (distance) P-C4' energy: -179.379 flat angles C4'-P-C4' energy: -197.841 flat angles P-C4'-P energy: -139.629 tors. eta vs tors. theta energy: -263.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2953.532139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.532139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.532139 (E_RNA) where: Base-Base interactions energy: -2055.937 where: short stacking energy: -819.126 Base-Backbone interact. energy: -5.168 local terms energy: -892.426676 where: bonds (distance) C4'-P energy: -173.196 bonds (distance) P-C4' energy: -169.324 flat angles C4'-P-C4' energy: -192.340 flat angles P-C4'-P energy: -119.940 tors. eta vs tors. theta energy: -237.626 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: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2799.454763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.454763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.454763 (E_RNA) where: Base-Base interactions energy: -1875.986 where: short stacking energy: -777.428 Base-Backbone interact. energy: -1.575 local terms energy: -921.894032 where: bonds (distance) C4'-P energy: -171.038 bonds (distance) P-C4' energy: -166.806 flat angles C4'-P-C4' energy: -211.321 flat angles P-C4'-P energy: -130.635 tors. eta vs tors. theta energy: -242.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2703.291058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.291058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.291058 (E_RNA) where: Base-Base interactions energy: -1849.543 where: short stacking energy: -770.436 Base-Backbone interact. energy: -2.495 local terms energy: -851.252244 where: bonds (distance) C4'-P energy: -144.063 bonds (distance) P-C4' energy: -164.126 flat angles C4'-P-C4' energy: -190.988 flat angles P-C4'-P energy: -118.470 tors. eta vs tors. theta energy: -233.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2365.451008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.451008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.451008 (E_RNA) where: Base-Base interactions energy: -1568.283 where: short stacking energy: -662.282 Base-Backbone interact. energy: 2.661 local terms energy: -799.828847 where: bonds (distance) C4'-P energy: -166.786 bonds (distance) P-C4' energy: -175.913 flat angles C4'-P-C4' energy: -178.628 flat angles P-C4'-P energy: -110.278 tors. eta vs tors. theta energy: -168.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2051.997168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.997168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.997168 (E_RNA) where: Base-Base interactions energy: -1308.963 where: short stacking energy: -583.163 Base-Backbone interact. energy: 1.604 local terms energy: -744.638605 where: bonds (distance) C4'-P energy: -168.918 bonds (distance) P-C4' energy: -156.038 flat angles C4'-P-C4' energy: -176.181 flat angles P-C4'-P energy: -90.072 tors. eta vs tors. theta energy: -153.430 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: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1622.402540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.402540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.402540 (E_RNA) where: Base-Base interactions energy: -988.381 where: short stacking energy: -458.726 Base-Backbone interact. energy: -3.042 local terms energy: -630.979818 where: bonds (distance) C4'-P energy: -149.026 bonds (distance) P-C4' energy: -147.775 flat angles C4'-P-C4' energy: -163.380 flat angles P-C4'-P energy: -87.378 tors. eta vs tors. theta energy: -83.421 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: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1315.055666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.055666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.055666 (E_RNA) where: Base-Base interactions energy: -770.263 where: short stacking energy: -356.120 Base-Backbone interact. energy: -0.166 local terms energy: -544.626860 where: bonds (distance) C4'-P energy: -132.778 bonds (distance) P-C4' energy: -162.044 flat angles C4'-P-C4' energy: -120.119 flat angles P-C4'-P energy: -90.530 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: 9, replica: 5 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -876.499341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.499341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.499341 (E_RNA) where: Base-Base interactions energy: -388.377 where: short stacking energy: -231.217 Base-Backbone interact. energy: 1.960 local terms energy: -490.082422 where: bonds (distance) C4'-P energy: -155.185 bonds (distance) P-C4' energy: -153.979 flat angles C4'-P-C4' energy: -140.219 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: 10.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -682.235360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.235360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.235360 (E_RNA) where: Base-Base interactions energy: -241.496 where: short stacking energy: -179.615 Base-Backbone interact. energy: 5.169 local terms energy: -445.908361 where: bonds (distance) C4'-P energy: -130.558 bonds (distance) P-C4' energy: -133.172 flat angles C4'-P-C4' energy: -134.702 flat angles P-C4'-P energy: -78.766 tors. eta vs tors. theta energy: 31.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3167.034737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.034737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.034737 (E_RNA) where: Base-Base interactions energy: -2185.345 where: short stacking energy: -896.780 Base-Backbone interact. energy: -4.341 local terms energy: -977.348148 where: bonds (distance) C4'-P energy: -196.658 bonds (distance) P-C4' energy: -185.193 flat angles C4'-P-C4' energy: -197.075 flat angles P-C4'-P energy: -135.086 tors. eta vs tors. theta energy: -263.336 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: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2915.560026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.560026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.560026 (E_RNA) where: Base-Base interactions energy: -1993.332 where: short stacking energy: -809.732 Base-Backbone interact. energy: 1.559 local terms energy: -923.787498 where: bonds (distance) C4'-P energy: -170.853 bonds (distance) P-C4' energy: -178.502 flat angles C4'-P-C4' energy: -198.518 flat angles P-C4'-P energy: -133.405 tors. eta vs tors. theta energy: -242.510 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: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2844.007297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.007297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.007297 (E_RNA) where: Base-Base interactions energy: -1948.016 where: short stacking energy: -821.014 Base-Backbone interact. energy: 6.569 local terms energy: -902.560163 where: bonds (distance) C4'-P energy: -152.386 bonds (distance) P-C4' energy: -181.123 flat angles C4'-P-C4' energy: -189.593 flat angles P-C4'-P energy: -126.440 tors. eta vs tors. theta energy: -253.017 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: 10 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2738.085205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.085205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.085205 (E_RNA) where: Base-Base interactions energy: -1855.349 where: short stacking energy: -764.772 Base-Backbone interact. energy: -3.903 local terms energy: -878.832969 where: bonds (distance) C4'-P energy: -185.805 bonds (distance) P-C4' energy: -174.349 flat angles C4'-P-C4' energy: -189.846 flat angles P-C4'-P energy: -111.982 tors. eta vs tors. theta energy: -216.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2411.958328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.958328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.958328 (E_RNA) where: Base-Base interactions energy: -1628.357 where: short stacking energy: -679.092 Base-Backbone interact. energy: -2.277 local terms energy: -781.324949 where: bonds (distance) C4'-P energy: -137.734 bonds (distance) P-C4' energy: -161.138 flat angles C4'-P-C4' energy: -176.870 flat angles P-C4'-P energy: -121.551 tors. eta vs tors. theta energy: -184.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2043.238866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.238866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.238866 (E_RNA) where: Base-Base interactions energy: -1317.689 where: short stacking energy: -605.973 Base-Backbone interact. energy: 3.287 local terms energy: -728.837218 where: bonds (distance) C4'-P energy: -165.405 bonds (distance) P-C4' energy: -143.440 flat angles C4'-P-C4' energy: -176.279 flat angles P-C4'-P energy: -97.184 tors. eta vs tors. theta energy: -146.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1710.719413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.719413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.719413 (E_RNA) where: Base-Base interactions energy: -1055.351 where: short stacking energy: -450.290 Base-Backbone interact. energy: -2.798 local terms energy: -652.571012 where: bonds (distance) C4'-P energy: -153.070 bonds (distance) P-C4' energy: -148.314 flat angles C4'-P-C4' energy: -160.528 flat angles P-C4'-P energy: -104.760 tors. eta vs tors. theta energy: -85.899 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: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1280.664755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.664755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.664755 (E_RNA) where: Base-Base interactions energy: -733.010 where: short stacking energy: -328.496 Base-Backbone interact. energy: 3.211 local terms energy: -550.866171 where: bonds (distance) C4'-P energy: -162.595 bonds (distance) P-C4' energy: -150.982 flat angles C4'-P-C4' energy: -136.329 flat angles P-C4'-P energy: -77.970 tors. eta vs tors. theta energy: -22.990 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: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -885.750135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.750135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.750135 (E_RNA) where: Base-Base interactions energy: -358.016 where: short stacking energy: -211.864 Base-Backbone interact. energy: 0.951 local terms energy: -528.685202 where: bonds (distance) C4'-P energy: -147.911 bonds (distance) P-C4' energy: -156.240 flat angles C4'-P-C4' energy: -161.480 flat angles P-C4'-P energy: -90.456 tors. eta vs tors. theta energy: 27.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -736.171226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.171226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.171226 (E_RNA) where: Base-Base interactions energy: -266.751 where: short stacking energy: -205.982 Base-Backbone interact. energy: 2.019 local terms energy: -471.439594 where: bonds (distance) C4'-P energy: -136.278 bonds (distance) P-C4' energy: -148.698 flat angles C4'-P-C4' energy: -115.700 flat angles P-C4'-P energy: -78.876 tors. eta vs tors. theta energy: 8.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3158.749713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.749713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.749713 (E_RNA) where: Base-Base interactions energy: -2174.182 where: short stacking energy: -912.469 Base-Backbone interact. energy: -4.488 local terms energy: -980.078849 where: bonds (distance) C4'-P energy: -173.882 bonds (distance) P-C4' energy: -184.375 flat angles C4'-P-C4' energy: -213.612 flat angles P-C4'-P energy: -135.220 tors. eta vs tors. theta energy: -272.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2941.837294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.837294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.837294 (E_RNA) where: Base-Base interactions energy: -2016.588 where: short stacking energy: -806.177 Base-Backbone interact. energy: 1.092 local terms energy: -926.341249 where: bonds (distance) C4'-P energy: -172.653 bonds (distance) P-C4' energy: -175.766 flat angles C4'-P-C4' energy: -207.721 flat angles P-C4'-P energy: -119.595 tors. eta vs tors. theta energy: -250.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2849.978107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.978107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.978107 (E_RNA) where: Base-Base interactions energy: -1909.548 where: short stacking energy: -798.664 Base-Backbone interact. energy: -3.557 local terms energy: -936.873134 where: bonds (distance) C4'-P energy: -189.600 bonds (distance) P-C4' energy: -171.234 flat angles C4'-P-C4' energy: -193.433 flat angles P-C4'-P energy: -134.467 tors. eta vs tors. theta energy: -248.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2679.998341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.998341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.998341 (E_RNA) where: Base-Base interactions energy: -1825.032 where: short stacking energy: -783.108 Base-Backbone interact. energy: 2.976 local terms energy: -857.942158 where: bonds (distance) C4'-P energy: -155.500 bonds (distance) P-C4' energy: -160.888 flat angles C4'-P-C4' energy: -193.019 flat angles P-C4'-P energy: -137.363 tors. eta vs tors. theta energy: -211.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2359.343810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.343810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.343810 (E_RNA) where: Base-Base interactions energy: -1574.427 where: short stacking energy: -663.606 Base-Backbone interact. energy: -4.147 local terms energy: -780.769726 where: bonds (distance) C4'-P energy: -154.145 bonds (distance) P-C4' energy: -156.093 flat angles C4'-P-C4' energy: -172.394 flat angles P-C4'-P energy: -106.011 tors. eta vs tors. theta energy: -192.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2011.032050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.032050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.032050 (E_RNA) where: Base-Base interactions energy: -1301.797 where: short stacking energy: -577.037 Base-Backbone interact. energy: -1.687 local terms energy: -707.548298 where: bonds (distance) C4'-P energy: -139.478 bonds (distance) P-C4' energy: -157.805 flat angles C4'-P-C4' energy: -160.872 flat angles P-C4'-P energy: -102.298 tors. eta vs tors. theta energy: -147.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1707.131995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.131995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.131995 (E_RNA) where: Base-Base interactions energy: -1044.652 where: short stacking energy: -471.182 Base-Backbone interact. energy: -1.931 local terms energy: -660.548808 where: bonds (distance) C4'-P energy: -139.271 bonds (distance) P-C4' energy: -146.713 flat angles C4'-P-C4' energy: -166.638 flat angles P-C4'-P energy: -105.249 tors. eta vs tors. theta energy: -102.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1330.991245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.991245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.991245 (E_RNA) where: Base-Base interactions energy: -726.309 where: short stacking energy: -376.314 Base-Backbone interact. energy: 4.099 local terms energy: -608.781326 where: bonds (distance) C4'-P energy: -153.455 bonds (distance) P-C4' energy: -175.757 flat angles C4'-P-C4' energy: -161.410 flat angles P-C4'-P energy: -81.440 tors. eta vs tors. theta energy: -36.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -883.405796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.405796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.405796 (E_RNA) where: Base-Base interactions energy: -368.564 where: short stacking energy: -244.635 Base-Backbone interact. energy: -2.089 local terms energy: -512.752715 where: bonds (distance) C4'-P energy: -137.608 bonds (distance) P-C4' energy: -159.727 flat angles C4'-P-C4' energy: -150.123 flat angles P-C4'-P energy: -75.626 tors. eta vs tors. theta energy: 10.330 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: 10, replica: 8 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -706.106960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.106960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.106960 (E_RNA) where: Base-Base interactions energy: -295.095 where: short stacking energy: -158.807 Base-Backbone interact. energy: 7.638 local terms energy: -418.649812 where: bonds (distance) C4'-P energy: -140.319 bonds (distance) P-C4' energy: -147.268 flat angles C4'-P-C4' energy: -141.135 flat angles P-C4'-P energy: -41.577 tors. eta vs tors. theta energy: 51.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3200.392989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.392989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.392989 (E_RNA) where: Base-Base interactions energy: -2223.027 where: short stacking energy: -897.443 Base-Backbone interact. energy: -5.494 local terms energy: -971.872462 where: bonds (distance) C4'-P energy: -182.656 bonds (distance) P-C4' energy: -177.512 flat angles C4'-P-C4' energy: -204.197 flat angles P-C4'-P energy: -132.521 tors. eta vs tors. theta energy: -274.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2979.459300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.459300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.459300 (E_RNA) where: Base-Base interactions energy: -2028.902 where: short stacking energy: -801.937 Base-Backbone interact. energy: -5.226 local terms energy: -945.331407 where: bonds (distance) C4'-P energy: -178.707 bonds (distance) P-C4' energy: -185.949 flat angles C4'-P-C4' energy: -193.020 flat angles P-C4'-P energy: -139.257 tors. eta vs tors. theta energy: -248.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2852.764815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.764815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.764815 (E_RNA) where: Base-Base interactions energy: -1940.151 where: short stacking energy: -792.281 Base-Backbone interact. energy: -1.436 local terms energy: -911.177686 where: bonds (distance) C4'-P energy: -167.443 bonds (distance) P-C4' energy: -173.845 flat angles C4'-P-C4' energy: -196.785 flat angles P-C4'-P energy: -129.420 tors. eta vs tors. theta energy: -243.685 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: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2702.726761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.726761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.726761 (E_RNA) where: Base-Base interactions energy: -1876.709 where: short stacking energy: -759.215 Base-Backbone interact. energy: 0.902 local terms energy: -826.919966 where: bonds (distance) C4'-P energy: -134.496 bonds (distance) P-C4' energy: -162.869 flat angles C4'-P-C4' energy: -187.689 flat angles P-C4'-P energy: -113.343 tors. eta vs tors. theta energy: -228.522 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: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2448.398562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.398562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.398562 (E_RNA) where: Base-Base interactions energy: -1616.968 where: short stacking energy: -681.308 Base-Backbone interact. energy: -1.628 local terms energy: -829.802423 where: bonds (distance) C4'-P energy: -169.323 bonds (distance) P-C4' energy: -144.426 flat angles C4'-P-C4' energy: -194.610 flat angles P-C4'-P energy: -125.947 tors. eta vs tors. theta energy: -195.496 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: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2084.342998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.342998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.342998 (E_RNA) where: Base-Base interactions energy: -1344.027 where: short stacking energy: -608.070 Base-Backbone interact. energy: -2.978 local terms energy: -737.337637 where: bonds (distance) C4'-P energy: -158.642 bonds (distance) P-C4' energy: -143.837 flat angles C4'-P-C4' energy: -175.411 flat angles P-C4'-P energy: -105.256 tors. eta vs tors. theta energy: -154.190 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: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1712.041518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.041518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.041518 (E_RNA) where: Base-Base interactions energy: -1017.441 where: short stacking energy: -452.235 Base-Backbone interact. energy: -0.887 local terms energy: -693.713168 where: bonds (distance) C4'-P energy: -160.649 bonds (distance) P-C4' energy: -170.675 flat angles C4'-P-C4' energy: -162.815 flat angles P-C4'-P energy: -103.079 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: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1352.993642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.993642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.993642 (E_RNA) where: Base-Base interactions energy: -772.068 where: short stacking energy: -359.659 Base-Backbone interact. energy: -2.286 local terms energy: -578.639819 where: bonds (distance) C4'-P energy: -144.630 bonds (distance) P-C4' energy: -164.105 flat angles C4'-P-C4' energy: -132.138 flat angles P-C4'-P energy: -81.947 tors. eta vs tors. theta energy: -55.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -896.567119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.567119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.567119 (E_RNA) where: Base-Base interactions energy: -397.475 where: short stacking energy: -240.101 Base-Backbone interact. energy: -1.201 local terms energy: -497.890727 where: bonds (distance) C4'-P energy: -142.826 bonds (distance) P-C4' energy: -164.626 flat angles C4'-P-C4' energy: -133.426 flat angles P-C4'-P energy: -75.910 tors. eta vs tors. theta energy: 18.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -724.284977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.284977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.284977 (E_RNA) where: Base-Base interactions energy: -271.773 where: short stacking energy: -169.379 Base-Backbone interact. energy: 2.332 local terms energy: -454.844664 where: bonds (distance) C4'-P energy: -138.443 bonds (distance) P-C4' energy: -169.332 flat angles C4'-P-C4' energy: -120.806 flat angles P-C4'-P energy: -69.870 tors. eta vs tors. theta energy: 43.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3180.690749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.690749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.690749 (E_RNA) where: Base-Base interactions energy: -2213.800 where: short stacking energy: -881.344 Base-Backbone interact. energy: -5.451 local terms energy: -961.439552 where: bonds (distance) C4'-P energy: -172.505 bonds (distance) P-C4' energy: -173.506 flat angles C4'-P-C4' energy: -209.004 flat angles P-C4'-P energy: -131.876 tors. eta vs tors. theta energy: -274.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2963.435572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.435572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.435572 (E_RNA) where: Base-Base interactions energy: -2030.962 where: short stacking energy: -829.477 Base-Backbone interact. energy: -4.269 local terms energy: -928.205102 where: bonds (distance) C4'-P energy: -191.353 bonds (distance) P-C4' energy: -161.206 flat angles C4'-P-C4' energy: -199.764 flat angles P-C4'-P energy: -122.081 tors. eta vs tors. theta energy: -253.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2861.786090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.786090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.786090 (E_RNA) where: Base-Base interactions energy: -1951.855 where: short stacking energy: -803.471 Base-Backbone interact. energy: -0.161 local terms energy: -909.769474 where: bonds (distance) C4'-P energy: -177.790 bonds (distance) P-C4' energy: -170.503 flat angles C4'-P-C4' energy: -188.088 flat angles P-C4'-P energy: -135.427 tors. eta vs tors. theta energy: -237.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2733.651339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.651339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.651339 (E_RNA) where: Base-Base interactions energy: -1856.355 where: short stacking energy: -777.176 Base-Backbone interact. energy: -0.480 local terms energy: -876.815852 where: bonds (distance) C4'-P energy: -162.277 bonds (distance) P-C4' energy: -171.302 flat angles C4'-P-C4' energy: -189.016 flat angles P-C4'-P energy: -126.719 tors. eta vs tors. theta energy: -227.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2417.772883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.772883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.772883 (E_RNA) where: Base-Base interactions energy: -1612.924 where: short stacking energy: -679.852 Base-Backbone interact. energy: -0.058 local terms energy: -804.790226 where: bonds (distance) C4'-P energy: -155.270 bonds (distance) P-C4' energy: -161.894 flat angles C4'-P-C4' energy: -189.272 flat angles P-C4'-P energy: -115.346 tors. eta vs tors. theta energy: -183.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2073.344405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.344405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.344405 (E_RNA) where: Base-Base interactions energy: -1345.201 where: short stacking energy: -573.353 Base-Backbone interact. energy: 4.801 local terms energy: -732.943875 where: bonds (distance) C4'-P energy: -144.540 bonds (distance) P-C4' energy: -161.744 flat angles C4'-P-C4' energy: -166.362 flat angles P-C4'-P energy: -99.521 tors. eta vs tors. theta energy: -160.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1779.292990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.292990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.292990 (E_RNA) where: Base-Base interactions energy: -1112.036 where: short stacking energy: -484.981 Base-Backbone interact. energy: -0.624 local terms energy: -666.633520 where: bonds (distance) C4'-P energy: -135.397 bonds (distance) P-C4' energy: -177.007 flat angles C4'-P-C4' energy: -154.678 flat angles P-C4'-P energy: -101.989 tors. eta vs tors. theta energy: -97.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1278.740930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.740930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.740930 (E_RNA) where: Base-Base interactions energy: -705.015 where: short stacking energy: -318.384 Base-Backbone interact. energy: 2.096 local terms energy: -575.821794 where: bonds (distance) C4'-P energy: -151.421 bonds (distance) P-C4' energy: -174.223 flat angles C4'-P-C4' energy: -138.866 flat angles P-C4'-P energy: -92.741 tors. eta vs tors. theta energy: -18.570 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: 5 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -881.739261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.739261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.739261 (E_RNA) where: Base-Base interactions energy: -407.848 where: short stacking energy: -240.195 Base-Backbone interact. energy: 2.805 local terms energy: -476.696038 where: bonds (distance) C4'-P energy: -147.243 bonds (distance) P-C4' energy: -164.915 flat angles C4'-P-C4' energy: -108.042 flat angles P-C4'-P energy: -75.310 tors. eta vs tors. theta energy: 18.814 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: 10, replica: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -664.165789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.165789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.165789 (E_RNA) where: Base-Base interactions energy: -240.513 where: short stacking energy: -174.582 Base-Backbone interact. energy: 2.817 local terms energy: -426.469172 where: bonds (distance) C4'-P energy: -145.565 bonds (distance) P-C4' energy: -148.195 flat angles C4'-P-C4' energy: -121.882 flat angles P-C4'-P energy: -50.540 tors. eta vs tors. theta energy: 39.713 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: 1, replica: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3202.855420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.855420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.855420 (E_RNA) where: Base-Base interactions energy: -2217.723 where: short stacking energy: -921.074 Base-Backbone interact. energy: -0.838 local terms energy: -984.295016 where: bonds (distance) C4'-P energy: -190.532 bonds (distance) P-C4' energy: -184.923 flat angles C4'-P-C4' energy: -204.910 flat angles P-C4'-P energy: -130.205 tors. eta vs tors. theta energy: -273.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2911.394654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.394654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.394654 (E_RNA) where: Base-Base interactions energy: -1988.880 where: short stacking energy: -805.475 Base-Backbone interact. energy: -1.227 local terms energy: -921.288070 where: bonds (distance) C4'-P energy: -186.689 bonds (distance) P-C4' energy: -183.213 flat angles C4'-P-C4' energy: -198.270 flat angles P-C4'-P energy: -108.829 tors. eta vs tors. theta energy: -244.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2896.416731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.416731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.416731 (E_RNA) where: Base-Base interactions energy: -1979.307 where: short stacking energy: -817.988 Base-Backbone interact. energy: 0.164 local terms energy: -917.274178 where: bonds (distance) C4'-P energy: -184.031 bonds (distance) P-C4' energy: -167.186 flat angles C4'-P-C4' energy: -194.511 flat angles P-C4'-P energy: -124.219 tors. eta vs tors. theta energy: -247.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2734.952311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.952311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.952311 (E_RNA) where: Base-Base interactions energy: -1837.760 where: short stacking energy: -811.106 Base-Backbone interact. energy: -2.094 local terms energy: -895.098655 where: bonds (distance) C4'-P energy: -154.393 bonds (distance) P-C4' energy: -157.853 flat angles C4'-P-C4' energy: -196.570 flat angles P-C4'-P energy: -145.517 tors. eta vs tors. theta energy: -240.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2424.117099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.117099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.117099 (E_RNA) where: Base-Base interactions energy: -1603.175 where: short stacking energy: -663.631 Base-Backbone interact. energy: -1.072 local terms energy: -819.870032 where: bonds (distance) C4'-P energy: -166.644 bonds (distance) P-C4' energy: -171.856 flat angles C4'-P-C4' energy: -182.022 flat angles P-C4'-P energy: -107.085 tors. eta vs tors. theta energy: -192.262 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: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2079.682703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.682703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.682703 (E_RNA) where: Base-Base interactions energy: -1369.259 where: short stacking energy: -575.005 Base-Backbone interact. energy: -3.316 local terms energy: -707.108551 where: bonds (distance) C4'-P energy: -145.731 bonds (distance) P-C4' energy: -159.519 flat angles C4'-P-C4' energy: -169.102 flat angles P-C4'-P energy: -83.561 tors. eta vs tors. theta energy: -149.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1790.146223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.146223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.146223 (E_RNA) where: Base-Base interactions energy: -1090.637 where: short stacking energy: -516.046 Base-Backbone interact. energy: -2.473 local terms energy: -697.035971 where: bonds (distance) C4'-P energy: -141.533 bonds (distance) P-C4' energy: -161.925 flat angles C4'-P-C4' energy: -165.637 flat angles P-C4'-P energy: -112.329 tors. eta vs tors. theta energy: -115.612 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: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1281.237045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.237045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.237045 (E_RNA) where: Base-Base interactions energy: -692.528 where: short stacking energy: -326.709 Base-Backbone interact. energy: 2.426 local terms energy: -591.134876 where: bonds (distance) C4'-P energy: -142.841 bonds (distance) P-C4' energy: -169.542 flat angles C4'-P-C4' energy: -155.439 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -35.718 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: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -984.338588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.338588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.338588 (E_RNA) where: Base-Base interactions energy: -439.141 where: short stacking energy: -278.763 Base-Backbone interact. energy: -2.179 local terms energy: -543.018255 where: bonds (distance) C4'-P energy: -144.407 bonds (distance) P-C4' energy: -162.534 flat angles C4'-P-C4' energy: -148.109 flat angles P-C4'-P energy: -82.350 tors. eta vs tors. theta energy: -5.618 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: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -651.584991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.584991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.584991 (E_RNA) where: Base-Base interactions energy: -252.179 where: short stacking energy: -176.610 Base-Backbone interact. energy: -2.267 local terms energy: -397.138508 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -150.840 flat angles C4'-P-C4' energy: -119.365 flat angles P-C4'-P energy: -59.369 tors. eta vs tors. theta energy: 56.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3178.818707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.818707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.818707 (E_RNA) where: Base-Base interactions energy: -2210.111 where: short stacking energy: -922.207 Base-Backbone interact. energy: -3.417 local terms energy: -965.291348 where: bonds (distance) C4'-P energy: -182.281 bonds (distance) P-C4' energy: -169.986 flat angles C4'-P-C4' energy: -216.580 flat angles P-C4'-P energy: -125.815 tors. eta vs tors. theta energy: -270.629 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: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2904.079553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.079553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.079553 (E_RNA) where: Base-Base interactions energy: -1973.160 where: short stacking energy: -827.602 Base-Backbone interact. energy: -6.139 local terms energy: -924.780746 where: bonds (distance) C4'-P energy: -169.132 bonds (distance) P-C4' energy: -176.298 flat angles C4'-P-C4' energy: -201.350 flat angles P-C4'-P energy: -130.928 tors. eta vs tors. theta energy: -247.073 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: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2924.325627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.325627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.325627 (E_RNA) where: Base-Base interactions energy: -2014.391 where: short stacking energy: -810.804 Base-Backbone interact. energy: -3.398 local terms energy: -906.536464 where: bonds (distance) C4'-P energy: -168.529 bonds (distance) P-C4' energy: -158.750 flat angles C4'-P-C4' energy: -196.056 flat angles P-C4'-P energy: -124.648 tors. eta vs tors. theta energy: -258.554 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: 10 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2747.694839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.694839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.694839 (E_RNA) where: Base-Base interactions energy: -1883.475 where: short stacking energy: -775.753 Base-Backbone interact. energy: 3.482 local terms energy: -867.701144 where: bonds (distance) C4'-P energy: -171.082 bonds (distance) P-C4' energy: -158.897 flat angles C4'-P-C4' energy: -191.502 flat angles P-C4'-P energy: -123.026 tors. eta vs tors. theta energy: -223.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2371.251788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.251788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.251788 (E_RNA) where: Base-Base interactions energy: -1554.912 where: short stacking energy: -650.050 Base-Backbone interact. energy: -5.726 local terms energy: -810.613746 where: bonds (distance) C4'-P energy: -154.352 bonds (distance) P-C4' energy: -165.903 flat angles C4'-P-C4' energy: -163.360 flat angles P-C4'-P energy: -132.240 tors. eta vs tors. theta energy: -194.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2068.026027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.026027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.026027 (E_RNA) where: Base-Base interactions energy: -1331.021 where: short stacking energy: -561.964 Base-Backbone interact. energy: -3.685 local terms energy: -733.319898 where: bonds (distance) C4'-P energy: -141.190 bonds (distance) P-C4' energy: -168.372 flat angles C4'-P-C4' energy: -192.008 flat angles P-C4'-P energy: -96.258 tors. eta vs tors. theta energy: -135.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1683.033401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.033401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.033401 (E_RNA) where: Base-Base interactions energy: -1033.726 where: short stacking energy: -464.644 Base-Backbone interact. energy: 6.062 local terms energy: -655.370096 where: bonds (distance) C4'-P energy: -145.709 bonds (distance) P-C4' energy: -162.699 flat angles C4'-P-C4' energy: -151.146 flat angles P-C4'-P energy: -88.050 tors. eta vs tors. theta energy: -107.766 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: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1276.398852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.398852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.398852 (E_RNA) where: Base-Base interactions energy: -709.789 where: short stacking energy: -347.550 Base-Backbone interact. energy: -4.001 local terms energy: -562.608733 where: bonds (distance) C4'-P energy: -124.198 bonds (distance) P-C4' energy: -164.158 flat angles C4'-P-C4' energy: -147.528 flat angles P-C4'-P energy: -64.306 tors. eta vs tors. theta energy: -62.420 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: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -931.049524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.049524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.049524 (E_RNA) where: Base-Base interactions energy: -446.369 where: short stacking energy: -238.787 Base-Backbone interact. energy: 5.015 local terms energy: -489.695657 where: bonds (distance) C4'-P energy: -162.080 bonds (distance) P-C4' energy: -144.278 flat angles C4'-P-C4' energy: -125.061 flat angles P-C4'-P energy: -70.435 tors. eta vs tors. theta energy: 12.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -650.741136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.741136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.741136 (E_RNA) where: Base-Base interactions energy: -204.794 where: short stacking energy: -156.293 Base-Backbone interact. energy: 1.378 local terms energy: -447.325154 where: bonds (distance) C4'-P energy: -123.500 bonds (distance) P-C4' energy: -155.401 flat angles C4'-P-C4' energy: -122.188 flat angles P-C4'-P energy: -81.315 tors. eta vs tors. theta energy: 35.079 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: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3211.519400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.519400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.519400 (E_RNA) where: Base-Base interactions energy: -2201.673 where: short stacking energy: -922.818 Base-Backbone interact. energy: -1.929 local terms energy: -1007.917885 where: bonds (distance) C4'-P energy: -183.239 bonds (distance) P-C4' energy: -189.869 flat angles C4'-P-C4' energy: -212.418 flat angles P-C4'-P energy: -149.001 tors. eta vs tors. theta energy: -273.390 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: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2980.365772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.365772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.365772 (E_RNA) where: Base-Base interactions energy: -2048.002 where: short stacking energy: -847.724 Base-Backbone interact. energy: -4.642 local terms energy: -927.721212 where: bonds (distance) C4'-P energy: -171.536 bonds (distance) P-C4' energy: -175.999 flat angles C4'-P-C4' energy: -193.810 flat angles P-C4'-P energy: -128.076 tors. eta vs tors. theta energy: -258.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2842.972190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.972190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.972190 (E_RNA) where: Base-Base interactions energy: -1985.684 where: short stacking energy: -793.166 Base-Backbone interact. energy: -2.802 local terms energy: -854.485730 where: bonds (distance) C4'-P energy: -156.521 bonds (distance) P-C4' energy: -158.032 flat angles C4'-P-C4' energy: -185.764 flat angles P-C4'-P energy: -120.160 tors. eta vs tors. theta energy: -234.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2673.210427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.210427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.210427 (E_RNA) where: Base-Base interactions energy: -1772.265 where: short stacking energy: -765.566 Base-Backbone interact. energy: -1.593 local terms energy: -899.352299 where: bonds (distance) C4'-P energy: -158.525 bonds (distance) P-C4' energy: -167.647 flat angles C4'-P-C4' energy: -189.311 flat angles P-C4'-P energy: -141.921 tors. eta vs tors. theta energy: -241.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2461.224916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.224916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.224916 (E_RNA) where: Base-Base interactions energy: -1631.278 where: short stacking energy: -726.779 Base-Backbone interact. energy: 6.599 local terms energy: -836.546146 where: bonds (distance) C4'-P energy: -168.875 bonds (distance) P-C4' energy: -189.774 flat angles C4'-P-C4' energy: -163.926 flat angles P-C4'-P energy: -116.784 tors. eta vs tors. theta energy: -197.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2006.908004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.908004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.908004 (E_RNA) where: Base-Base interactions energy: -1328.345 where: short stacking energy: -547.437 Base-Backbone interact. energy: 1.837 local terms energy: -680.400162 where: bonds (distance) C4'-P energy: -139.539 bonds (distance) P-C4' energy: -168.189 flat angles C4'-P-C4' energy: -142.986 flat angles P-C4'-P energy: -101.172 tors. eta vs tors. theta energy: -128.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1650.647062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.647062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.647062 (E_RNA) where: Base-Base interactions energy: -1001.526 where: short stacking energy: -441.364 Base-Backbone interact. energy: -1.469 local terms energy: -647.651791 where: bonds (distance) C4'-P energy: -141.631 bonds (distance) P-C4' energy: -172.499 flat angles C4'-P-C4' energy: -153.890 flat angles P-C4'-P energy: -99.889 tors. eta vs tors. theta energy: -79.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1223.595515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.595515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.595515 (E_RNA) where: Base-Base interactions energy: -689.550 where: short stacking energy: -341.210 Base-Backbone interact. energy: 0.476 local terms energy: -534.521451 where: bonds (distance) C4'-P energy: -139.599 bonds (distance) P-C4' energy: -142.195 flat angles C4'-P-C4' energy: -139.574 flat angles P-C4'-P energy: -98.647 tors. eta vs tors. theta energy: -14.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -899.906426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.906426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.906426 (E_RNA) where: Base-Base interactions energy: -414.576 where: short stacking energy: -266.172 Base-Backbone interact. energy: 1.877 local terms energy: -487.207897 where: bonds (distance) C4'-P energy: -156.691 bonds (distance) P-C4' energy: -158.779 flat angles C4'-P-C4' energy: -130.538 flat angles P-C4'-P energy: -44.642 tors. eta vs tors. theta energy: 3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -644.265359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.265359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.265359 (E_RNA) where: Base-Base interactions energy: -197.313 where: short stacking energy: -174.188 Base-Backbone interact. energy: 5.482 local terms energy: -452.434695 where: bonds (distance) C4'-P energy: -123.938 bonds (distance) P-C4' energy: -161.582 flat angles C4'-P-C4' energy: -126.787 flat angles P-C4'-P energy: -72.811 tors. eta vs tors. theta energy: 32.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3158.383458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.383458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.383458 (E_RNA) where: Base-Base interactions energy: -2207.407 where: short stacking energy: -889.624 Base-Backbone interact. energy: -0.134 local terms energy: -950.842475 where: bonds (distance) C4'-P energy: -184.072 bonds (distance) P-C4' energy: -177.455 flat angles C4'-P-C4' energy: -203.960 flat angles P-C4'-P energy: -127.588 tors. eta vs tors. theta energy: -257.767 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: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2959.059059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.059059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.059059 (E_RNA) where: Base-Base interactions energy: -2029.932 where: short stacking energy: -835.781 Base-Backbone interact. energy: -7.020 local terms energy: -922.106914 where: bonds (distance) C4'-P energy: -162.865 bonds (distance) P-C4' energy: -191.217 flat angles C4'-P-C4' energy: -196.202 flat angles P-C4'-P energy: -130.144 tors. eta vs tors. theta energy: -241.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2809.406063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.406063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.406063 (E_RNA) where: Base-Base interactions energy: -1903.108 where: short stacking energy: -784.686 Base-Backbone interact. energy: -9.518 local terms energy: -896.780892 where: bonds (distance) C4'-P energy: -182.346 bonds (distance) P-C4' energy: -170.054 flat angles C4'-P-C4' energy: -188.122 flat angles P-C4'-P energy: -132.031 tors. eta vs tors. theta energy: -224.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2771.642156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.642156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.642156 (E_RNA) where: Base-Base interactions energy: -1870.528 where: short stacking energy: -836.352 Base-Backbone interact. energy: -1.705 local terms energy: -899.409553 where: bonds (distance) C4'-P energy: -170.234 bonds (distance) P-C4' energy: -160.052 flat angles C4'-P-C4' energy: -200.376 flat angles P-C4'-P energy: -125.313 tors. eta vs tors. theta energy: -243.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2415.580733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.580733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.580733 (E_RNA) where: Base-Base interactions energy: -1592.457 where: short stacking energy: -721.424 Base-Backbone interact. energy: -1.160 local terms energy: -821.962811 where: bonds (distance) C4'-P energy: -151.298 bonds (distance) P-C4' energy: -166.921 flat angles C4'-P-C4' energy: -192.298 flat angles P-C4'-P energy: -116.762 tors. eta vs tors. theta energy: -194.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2044.828764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.828764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.828764 (E_RNA) where: Base-Base interactions energy: -1315.171 where: short stacking energy: -595.195 Base-Backbone interact. energy: -0.281 local terms energy: -729.376336 where: bonds (distance) C4'-P energy: -145.816 bonds (distance) P-C4' energy: -166.649 flat angles C4'-P-C4' energy: -158.336 flat angles P-C4'-P energy: -111.898 tors. eta vs tors. theta energy: -146.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1696.267670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.267670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.267670 (E_RNA) where: Base-Base interactions energy: -1060.589 where: short stacking energy: -456.194 Base-Backbone interact. energy: -4.601 local terms energy: -631.077663 where: bonds (distance) C4'-P energy: -132.519 bonds (distance) P-C4' energy: -159.297 flat angles C4'-P-C4' energy: -157.152 flat angles P-C4'-P energy: -96.428 tors. eta vs tors. theta energy: -85.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1186.792669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.792669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.792669 (E_RNA) where: Base-Base interactions energy: -631.751 where: short stacking energy: -327.712 Base-Backbone interact. energy: -4.035 local terms energy: -551.006643 where: bonds (distance) C4'-P energy: -137.708 bonds (distance) P-C4' energy: -173.420 flat angles C4'-P-C4' energy: -118.429 flat angles P-C4'-P energy: -96.803 tors. eta vs tors. theta energy: -24.648 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: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -833.867485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.867485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.867485 (E_RNA) where: Base-Base interactions energy: -373.051 where: short stacking energy: -244.168 Base-Backbone interact. energy: -3.748 local terms energy: -457.068921 where: bonds (distance) C4'-P energy: -121.931 bonds (distance) P-C4' energy: -173.848 flat angles C4'-P-C4' energy: -100.409 flat angles P-C4'-P energy: -69.363 tors. eta vs tors. theta energy: 8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -664.540351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.540351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.540351 (E_RNA) where: Base-Base interactions energy: -221.546 where: short stacking energy: -184.532 Base-Backbone interact. energy: -0.143 local terms energy: -442.851673 where: bonds (distance) C4'-P energy: -146.294 bonds (distance) P-C4' energy: -171.581 flat angles C4'-P-C4' energy: -108.023 flat angles P-C4'-P energy: -66.599 tors. eta vs tors. theta energy: 49.645 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: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3151.583787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.583787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.583787 (E_RNA) where: Base-Base interactions energy: -2133.823 where: short stacking energy: -878.237 Base-Backbone interact. energy: -0.021 local terms energy: -1017.739815 where: bonds (distance) C4'-P energy: -192.107 bonds (distance) P-C4' energy: -196.390 flat angles C4'-P-C4' energy: -214.694 flat angles P-C4'-P energy: -150.652 tors. eta vs tors. theta energy: -263.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2929.637325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.637325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.637325 (E_RNA) where: Base-Base interactions energy: -2029.648 where: short stacking energy: -823.637 Base-Backbone interact. energy: -3.406 local terms energy: -896.582901 where: bonds (distance) C4'-P energy: -174.976 bonds (distance) P-C4' energy: -167.562 flat angles C4'-P-C4' energy: -195.440 flat angles P-C4'-P energy: -114.754 tors. eta vs tors. theta energy: -243.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2805.540766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.540766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.540766 (E_RNA) where: Base-Base interactions energy: -1938.146 where: short stacking energy: -763.742 Base-Backbone interact. energy: -8.906 local terms energy: -858.488114 where: bonds (distance) C4'-P energy: -168.555 bonds (distance) P-C4' energy: -166.945 flat angles C4'-P-C4' energy: -189.510 flat angles P-C4'-P energy: -117.076 tors. eta vs tors. theta energy: -216.403 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: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2729.527466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.527466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.527466 (E_RNA) where: Base-Base interactions energy: -1848.962 where: short stacking energy: -764.704 Base-Backbone interact. energy: -3.577 local terms energy: -876.988355 where: bonds (distance) C4'-P energy: -166.271 bonds (distance) P-C4' energy: -154.316 flat angles C4'-P-C4' energy: -190.682 flat angles P-C4'-P energy: -130.326 tors. eta vs tors. theta energy: -235.393 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: 5, replica: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2370.364500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.364500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.364500 (E_RNA) where: Base-Base interactions energy: -1594.238 where: short stacking energy: -676.331 Base-Backbone interact. energy: -2.216 local terms energy: -773.910296 where: bonds (distance) C4'-P energy: -148.112 bonds (distance) P-C4' energy: -165.479 flat angles C4'-P-C4' energy: -175.379 flat angles P-C4'-P energy: -105.232 tors. eta vs tors. theta energy: -179.708 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: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2064.614494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.614494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.614494 (E_RNA) where: Base-Base interactions energy: -1343.896 where: short stacking energy: -562.465 Base-Backbone interact. energy: -0.639 local terms energy: -720.079547 where: bonds (distance) C4'-P energy: -160.460 bonds (distance) P-C4' energy: -155.452 flat angles C4'-P-C4' energy: -169.900 flat angles P-C4'-P energy: -95.119 tors. eta vs tors. theta energy: -139.149 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: 461 Temperature: 1.200000 Total energy: -1699.679091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.679091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.679091 (E_RNA) where: Base-Base interactions energy: -1006.791 where: short stacking energy: -460.064 Base-Backbone interact. energy: 1.207 local terms energy: -694.094722 where: bonds (distance) C4'-P energy: -163.195 bonds (distance) P-C4' energy: -169.795 flat angles C4'-P-C4' energy: -165.371 flat angles P-C4'-P energy: -89.074 tors. eta vs tors. theta energy: -106.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1194.916692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.916692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.916692 (E_RNA) where: Base-Base interactions energy: -651.211 where: short stacking energy: -318.720 Base-Backbone interact. energy: -0.786 local terms energy: -542.919539 where: bonds (distance) C4'-P energy: -156.152 bonds (distance) P-C4' energy: -159.175 flat angles C4'-P-C4' energy: -145.426 flat angles P-C4'-P energy: -59.542 tors. eta vs tors. theta energy: -22.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -963.440018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.440018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.440018 (E_RNA) where: Base-Base interactions energy: -458.612 where: short stacking energy: -256.673 Base-Backbone interact. energy: -2.786 local terms energy: -502.042139 where: bonds (distance) C4'-P energy: -152.707 bonds (distance) P-C4' energy: -141.606 flat angles C4'-P-C4' energy: -125.411 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: 0.770 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: 8 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -653.511594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.511594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.511594 (E_RNA) where: Base-Base interactions energy: -210.385 where: short stacking energy: -141.797 Base-Backbone interact. energy: -4.319 local terms energy: -438.807208 where: bonds (distance) C4'-P energy: -151.444 bonds (distance) P-C4' energy: -146.965 flat angles C4'-P-C4' energy: -123.819 flat angles P-C4'-P energy: -71.594 tors. eta vs tors. theta energy: 55.015 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: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3175.392305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.392305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.392305 (E_RNA) where: Base-Base interactions energy: -2187.219 where: short stacking energy: -919.138 Base-Backbone interact. energy: -6.769 local terms energy: -981.403905 where: bonds (distance) C4'-P energy: -194.011 bonds (distance) P-C4' energy: -168.392 flat angles C4'-P-C4' energy: -212.875 flat angles P-C4'-P energy: -138.788 tors. eta vs tors. theta energy: -267.338 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: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -3003.762683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.762683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.762683 (E_RNA) where: Base-Base interactions energy: -2058.036 where: short stacking energy: -890.721 Base-Backbone interact. energy: -4.046 local terms energy: -941.680763 where: bonds (distance) C4'-P energy: -160.962 bonds (distance) P-C4' energy: -186.863 flat angles C4'-P-C4' energy: -198.662 flat angles P-C4'-P energy: -126.850 tors. eta vs tors. theta energy: -268.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2764.635561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.635561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.635561 (E_RNA) where: Base-Base interactions energy: -1878.210 where: short stacking energy: -762.524 Base-Backbone interact. energy: -9.943 local terms energy: -876.481995 where: bonds (distance) C4'-P energy: -164.239 bonds (distance) P-C4' energy: -189.580 flat angles C4'-P-C4' energy: -192.035 flat angles P-C4'-P energy: -119.113 tors. eta vs tors. theta energy: -211.514 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: 4, replica: 10 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2710.744232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.744232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.744232 (E_RNA) where: Base-Base interactions energy: -1845.801 where: short stacking energy: -789.219 Base-Backbone interact. energy: -5.583 local terms energy: -859.360923 where: bonds (distance) C4'-P energy: -168.214 bonds (distance) P-C4' energy: -160.596 flat angles C4'-P-C4' energy: -185.234 flat angles P-C4'-P energy: -113.196 tors. eta vs tors. theta energy: -232.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2422.784667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.784667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.784667 (E_RNA) where: Base-Base interactions energy: -1656.699 where: short stacking energy: -678.210 Base-Backbone interact. energy: -3.404 local terms energy: -762.682263 where: bonds (distance) C4'-P energy: -140.372 bonds (distance) P-C4' energy: -161.009 flat angles C4'-P-C4' energy: -169.731 flat angles P-C4'-P energy: -120.132 tors. eta vs tors. theta energy: -171.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2104.225637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.225637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.225637 (E_RNA) where: Base-Base interactions energy: -1347.846 where: short stacking energy: -589.973 Base-Backbone interact. energy: -1.690 local terms energy: -754.689867 where: bonds (distance) C4'-P energy: -180.579 bonds (distance) P-C4' energy: -144.430 flat angles C4'-P-C4' energy: -185.800 flat angles P-C4'-P energy: -101.865 tors. eta vs tors. theta energy: -142.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1722.943458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.943458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.943458 (E_RNA) where: Base-Base interactions energy: -1075.797 where: short stacking energy: -475.533 Base-Backbone interact. energy: -4.474 local terms energy: -642.671776 where: bonds (distance) C4'-P energy: -156.939 bonds (distance) P-C4' energy: -143.523 flat angles C4'-P-C4' energy: -165.623 flat angles P-C4'-P energy: -76.062 tors. eta vs tors. theta energy: -100.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1281.204835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.204835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.204835 (E_RNA) where: Base-Base interactions energy: -726.745 where: short stacking energy: -357.215 Base-Backbone interact. energy: 3.076 local terms energy: -557.535681 where: bonds (distance) C4'-P energy: -149.914 bonds (distance) P-C4' energy: -159.320 flat angles C4'-P-C4' energy: -135.309 flat angles P-C4'-P energy: -81.562 tors. eta vs tors. theta energy: -31.430 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: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -845.024442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.024442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.024442 (E_RNA) where: Base-Base interactions energy: -393.124 where: short stacking energy: -224.502 Base-Backbone interact. energy: 4.250 local terms energy: -456.150638 where: bonds (distance) C4'-P energy: -146.828 bonds (distance) P-C4' energy: -153.995 flat angles C4'-P-C4' energy: -109.023 flat angles P-C4'-P energy: -65.389 tors. eta vs tors. theta energy: 19.083 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: 10, replica: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -628.180024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.180024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.180024 (E_RNA) where: Base-Base interactions energy: -194.330 where: short stacking energy: -163.889 Base-Backbone interact. energy: -0.204 local terms energy: -433.646798 where: bonds (distance) C4'-P energy: -151.536 bonds (distance) P-C4' energy: -147.082 flat angles C4'-P-C4' energy: -115.558 flat angles P-C4'-P energy: -59.838 tors. eta vs tors. theta energy: 40.368 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: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3146.268422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.268422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.268422 (E_RNA) where: Base-Base interactions energy: -2176.176 where: short stacking energy: -896.933 Base-Backbone interact. energy: -6.865 local terms energy: -963.226937 where: bonds (distance) C4'-P energy: -176.059 bonds (distance) P-C4' energy: -170.809 flat angles C4'-P-C4' energy: -206.453 flat angles P-C4'-P energy: -142.349 tors. eta vs tors. theta energy: -267.556 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: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2919.912017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.912017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.912017 (E_RNA) where: Base-Base interactions energy: -1977.691 where: short stacking energy: -815.443 Base-Backbone interact. energy: 1.823 local terms energy: -944.043819 where: bonds (distance) C4'-P energy: -167.881 bonds (distance) P-C4' energy: -181.705 flat angles C4'-P-C4' energy: -207.731 flat angles P-C4'-P energy: -137.758 tors. eta vs tors. theta energy: -248.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2769.398605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.398605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.398605 (E_RNA) where: Base-Base interactions energy: -1873.073 where: short stacking energy: -763.433 Base-Backbone interact. energy: 2.544 local terms energy: -898.869905 where: bonds (distance) C4'-P energy: -171.480 bonds (distance) P-C4' energy: -172.450 flat angles C4'-P-C4' energy: -203.137 flat angles P-C4'-P energy: -139.394 tors. eta vs tors. theta energy: -212.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2639.818130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.818130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.818130 (E_RNA) where: Base-Base interactions energy: -1843.662 where: short stacking energy: -750.708 Base-Backbone interact. energy: -4.679 local terms energy: -791.477040 where: bonds (distance) C4'-P energy: -130.434 bonds (distance) P-C4' energy: -167.974 flat angles C4'-P-C4' energy: -181.977 flat angles P-C4'-P energy: -113.497 tors. eta vs tors. theta energy: -197.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2404.773023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.773023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.773023 (E_RNA) where: Base-Base interactions energy: -1627.228 where: short stacking energy: -658.262 Base-Backbone interact. energy: -0.734 local terms energy: -776.811464 where: bonds (distance) C4'-P energy: -136.303 bonds (distance) P-C4' energy: -148.503 flat angles C4'-P-C4' energy: -186.862 flat angles P-C4'-P energy: -126.775 tors. eta vs tors. theta energy: -178.369 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: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2168.929137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.929137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.929137 (E_RNA) where: Base-Base interactions energy: -1417.840 where: short stacking energy: -640.850 Base-Backbone interact. energy: 3.305 local terms energy: -754.394341 where: bonds (distance) C4'-P energy: -163.274 bonds (distance) P-C4' energy: -144.647 flat angles C4'-P-C4' energy: -186.209 flat angles P-C4'-P energy: -100.936 tors. eta vs tors. theta energy: -159.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1776.329247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.329247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.329247 (E_RNA) where: Base-Base interactions energy: -1125.861 where: short stacking energy: -505.223 Base-Backbone interact. energy: 3.145 local terms energy: -653.612665 where: bonds (distance) C4'-P energy: -160.879 bonds (distance) P-C4' energy: -158.987 flat angles C4'-P-C4' energy: -147.100 flat angles P-C4'-P energy: -90.156 tors. eta vs tors. theta energy: -96.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1290.484177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.484177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.484177 (E_RNA) where: Base-Base interactions energy: -697.094 where: short stacking energy: -372.666 Base-Backbone interact. energy: 10.597 local terms energy: -603.987314 where: bonds (distance) C4'-P energy: -156.486 bonds (distance) P-C4' energy: -177.681 flat angles C4'-P-C4' energy: -136.887 flat angles P-C4'-P energy: -90.561 tors. eta vs tors. theta energy: -42.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -847.670132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.670132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.670132 (E_RNA) where: Base-Base interactions energy: -333.755 where: short stacking energy: -182.911 Base-Backbone interact. energy: 1.276 local terms energy: -515.190712 where: bonds (distance) C4'-P energy: -152.554 bonds (distance) P-C4' energy: -165.331 flat angles C4'-P-C4' energy: -142.170 flat angles P-C4'-P energy: -82.207 tors. eta vs tors. theta energy: 27.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -623.454900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.454900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.454900 (E_RNA) where: Base-Base interactions energy: -219.777 where: short stacking energy: -178.375 Base-Backbone interact. energy: -3.890 local terms energy: -399.787873 where: bonds (distance) C4'-P energy: -137.296 bonds (distance) P-C4' energy: -144.730 flat angles C4'-P-C4' energy: -123.626 flat angles P-C4'-P energy: -54.769 tors. eta vs tors. theta energy: 60.633 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: 1, replica: 7 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3161.490395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.490395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.490395 (E_RNA) where: Base-Base interactions energy: -2172.889 where: short stacking energy: -866.313 Base-Backbone interact. energy: 0.539 local terms energy: -989.140139 where: bonds (distance) C4'-P energy: -179.085 bonds (distance) P-C4' energy: -184.776 flat angles C4'-P-C4' energy: -209.106 flat angles P-C4'-P energy: -154.766 tors. eta vs tors. theta energy: -261.407 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: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2975.517453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.517453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.517453 (E_RNA) where: Base-Base interactions energy: -2028.315 where: short stacking energy: -868.232 Base-Backbone interact. energy: -2.037 local terms energy: -945.165965 where: bonds (distance) C4'-P energy: -181.134 bonds (distance) P-C4' energy: -158.753 flat angles C4'-P-C4' energy: -199.441 flat angles P-C4'-P energy: -146.546 tors. eta vs tors. theta energy: -259.292 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: 464 Temperature: 1.000000 Total energy: -2773.515199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.515199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.515199 (E_RNA) where: Base-Base interactions energy: -1875.585 where: short stacking energy: -780.853 Base-Backbone interact. energy: -2.221 local terms energy: -895.709184 where: bonds (distance) C4'-P energy: -173.545 bonds (distance) P-C4' energy: -158.561 flat angles C4'-P-C4' energy: -198.930 flat angles P-C4'-P energy: -132.909 tors. eta vs tors. theta energy: -231.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2622.204204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.204204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.204204 (E_RNA) where: Base-Base interactions energy: -1779.072 where: short stacking energy: -764.478 Base-Backbone interact. energy: 4.940 local terms energy: -848.071564 where: bonds (distance) C4'-P energy: -172.178 bonds (distance) P-C4' energy: -154.455 flat angles C4'-P-C4' energy: -194.607 flat angles P-C4'-P energy: -122.198 tors. eta vs tors. theta energy: -204.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2329.013025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.013025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.013025 (E_RNA) where: Base-Base interactions energy: -1543.906 where: short stacking energy: -647.675 Base-Backbone interact. energy: 0.483 local terms energy: -785.590409 where: bonds (distance) C4'-P energy: -160.035 bonds (distance) P-C4' energy: -170.139 flat angles C4'-P-C4' energy: -157.506 flat angles P-C4'-P energy: -118.139 tors. eta vs tors. theta energy: -179.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2212.924630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.924630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.924630 (E_RNA) where: Base-Base interactions energy: -1431.322 where: short stacking energy: -621.968 Base-Backbone interact. energy: -0.486 local terms energy: -781.116532 where: bonds (distance) C4'-P energy: -147.110 bonds (distance) P-C4' energy: -162.736 flat angles C4'-P-C4' energy: -181.794 flat angles P-C4'-P energy: -121.930 tors. eta vs tors. theta energy: -167.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1757.724787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.724787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.724787 (E_RNA) where: Base-Base interactions energy: -1066.178 where: short stacking energy: -466.002 Base-Backbone interact. energy: 4.954 local terms energy: -696.501516 where: bonds (distance) C4'-P energy: -155.660 bonds (distance) P-C4' energy: -168.951 flat angles C4'-P-C4' energy: -169.295 flat angles P-C4'-P energy: -100.682 tors. eta vs tors. theta energy: -101.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1211.988876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.988876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.988876 (E_RNA) where: Base-Base interactions energy: -656.997 where: short stacking energy: -375.434 Base-Backbone interact. energy: -2.637 local terms energy: -552.354811 where: bonds (distance) C4'-P energy: -175.612 bonds (distance) P-C4' energy: -151.416 flat angles C4'-P-C4' energy: -120.214 flat angles P-C4'-P energy: -54.965 tors. eta vs tors. theta energy: -50.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -853.527475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.527475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.527475 (E_RNA) where: Base-Base interactions energy: -378.514 where: short stacking energy: -215.207 Base-Backbone interact. energy: -1.356 local terms energy: -473.657218 where: bonds (distance) C4'-P energy: -138.191 bonds (distance) P-C4' energy: -155.888 flat angles C4'-P-C4' energy: -131.854 flat angles P-C4'-P energy: -62.143 tors. eta vs tors. theta energy: 14.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -645.514218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.514218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.514218 (E_RNA) where: Base-Base interactions energy: -196.027 where: short stacking energy: -146.054 Base-Backbone interact. energy: 3.425 local terms energy: -452.912896 where: bonds (distance) C4'-P energy: -139.994 bonds (distance) P-C4' energy: -151.531 flat angles C4'-P-C4' energy: -135.088 flat angles P-C4'-P energy: -49.381 tors. eta vs tors. theta energy: 23.081 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: 1, replica: 7 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3148.181571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.181571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.181571 (E_RNA) where: Base-Base interactions energy: -2171.516 where: short stacking energy: -851.148 Base-Backbone interact. energy: -5.937 local terms energy: -970.728992 where: bonds (distance) C4'-P energy: -166.864 bonds (distance) P-C4' energy: -193.330 flat angles C4'-P-C4' energy: -203.072 flat angles P-C4'-P energy: -144.210 tors. eta vs tors. theta energy: -263.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2954.658477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.658477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.658477 (E_RNA) where: Base-Base interactions energy: -2042.201 where: short stacking energy: -820.668 Base-Backbone interact. energy: -3.289 local terms energy: -909.168085 where: bonds (distance) C4'-P energy: -153.755 bonds (distance) P-C4' energy: -180.026 flat angles C4'-P-C4' energy: -206.585 flat angles P-C4'-P energy: -124.446 tors. eta vs tors. theta energy: -244.356 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: 3, replica: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2829.836091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.836091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.836091 (E_RNA) where: Base-Base interactions energy: -1933.060 where: short stacking energy: -793.744 Base-Backbone interact. energy: 2.381 local terms energy: -899.157228 where: bonds (distance) C4'-P energy: -183.925 bonds (distance) P-C4' energy: -162.767 flat angles C4'-P-C4' energy: -197.877 flat angles P-C4'-P energy: -120.179 tors. eta vs tors. theta energy: -234.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2676.763481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.763481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.763481 (E_RNA) where: Base-Base interactions energy: -1776.148 where: short stacking energy: -758.160 Base-Backbone interact. energy: 0.744 local terms energy: -901.360126 where: bonds (distance) C4'-P energy: -176.575 bonds (distance) P-C4' energy: -173.032 flat angles C4'-P-C4' energy: -198.477 flat angles P-C4'-P energy: -137.953 tors. eta vs tors. theta energy: -215.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2300.054328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.054328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.054328 (E_RNA) where: Base-Base interactions energy: -1538.995 where: short stacking energy: -634.243 Base-Backbone interact. energy: -4.486 local terms energy: -756.573585 where: bonds (distance) C4'-P energy: -144.345 bonds (distance) P-C4' energy: -159.759 flat angles C4'-P-C4' energy: -188.637 flat angles P-C4'-P energy: -100.697 tors. eta vs tors. theta energy: -163.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2156.955474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.955474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.955474 (E_RNA) where: Base-Base interactions energy: -1399.997 where: short stacking energy: -637.268 Base-Backbone interact. energy: 9.394 local terms energy: -766.352822 where: bonds (distance) C4'-P energy: -138.193 bonds (distance) P-C4' energy: -167.053 flat angles C4'-P-C4' energy: -179.560 flat angles P-C4'-P energy: -123.583 tors. eta vs tors. theta energy: -157.963 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: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1762.481639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.481639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.481639 (E_RNA) where: Base-Base interactions energy: -1124.102 where: short stacking energy: -526.587 Base-Backbone interact. energy: -0.930 local terms energy: -637.448868 where: bonds (distance) C4'-P energy: -141.096 bonds (distance) P-C4' energy: -147.069 flat angles C4'-P-C4' energy: -151.217 flat angles P-C4'-P energy: -99.443 tors. eta vs tors. theta energy: -98.624 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: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1231.243804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.243804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.243804 (E_RNA) where: Base-Base interactions energy: -658.611 where: short stacking energy: -323.805 Base-Backbone interact. energy: 0.699 local terms energy: -573.331881 where: bonds (distance) C4'-P energy: -153.542 bonds (distance) P-C4' energy: -172.379 flat angles C4'-P-C4' energy: -152.275 flat angles P-C4'-P energy: -74.080 tors. eta vs tors. theta energy: -21.055 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: 465 Temperature: 1.300000 Total energy: -852.314022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.314022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.314022 (E_RNA) where: Base-Base interactions energy: -377.246 where: short stacking energy: -241.521 Base-Backbone interact. energy: 3.990 local terms energy: -479.057402 where: bonds (distance) C4'-P energy: -151.141 bonds (distance) P-C4' energy: -162.180 flat angles C4'-P-C4' energy: -131.279 flat angles P-C4'-P energy: -48.842 tors. eta vs tors. theta energy: 14.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -661.756589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.756589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.756589 (E_RNA) where: Base-Base interactions energy: -195.262 where: short stacking energy: -165.181 Base-Backbone interact. energy: -2.480 local terms energy: -464.014371 where: bonds (distance) C4'-P energy: -139.010 bonds (distance) P-C4' energy: -166.864 flat angles C4'-P-C4' energy: -126.967 flat angles P-C4'-P energy: -73.735 tors. eta vs tors. theta energy: 42.562 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: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3189.794212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.794212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.794212 (E_RNA) where: Base-Base interactions energy: -2203.364 where: short stacking energy: -874.491 Base-Backbone interact. energy: -6.833 local terms energy: -979.596893 where: bonds (distance) C4'-P energy: -175.607 bonds (distance) P-C4' energy: -178.555 flat angles C4'-P-C4' energy: -211.140 flat angles P-C4'-P energy: -148.028 tors. eta vs tors. theta energy: -266.268 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: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2958.197123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.197123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.197123 (E_RNA) where: Base-Base interactions energy: -2032.623 where: short stacking energy: -829.144 Base-Backbone interact. energy: 4.416 local terms energy: -929.990025 where: bonds (distance) C4'-P energy: -174.896 bonds (distance) P-C4' energy: -191.698 flat angles C4'-P-C4' energy: -201.333 flat angles P-C4'-P energy: -120.322 tors. eta vs tors. theta energy: -241.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2823.093043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.093043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.093043 (E_RNA) where: Base-Base interactions energy: -1911.352 where: short stacking energy: -805.994 Base-Backbone interact. energy: -3.221 local terms energy: -908.519984 where: bonds (distance) C4'-P energy: -168.138 bonds (distance) P-C4' energy: -187.106 flat angles C4'-P-C4' energy: -185.935 flat angles P-C4'-P energy: -139.416 tors. eta vs tors. theta energy: -227.924 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: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2688.578275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.578275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.578275 (E_RNA) where: Base-Base interactions energy: -1830.360 where: short stacking energy: -763.572 Base-Backbone interact. energy: -1.499 local terms energy: -856.718761 where: bonds (distance) C4'-P energy: -171.459 bonds (distance) P-C4' energy: -169.468 flat angles C4'-P-C4' energy: -177.757 flat angles P-C4'-P energy: -113.504 tors. eta vs tors. theta energy: -224.531 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: 466 Temperature: 1.100000 Total energy: -2436.876533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.876533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.876533 (E_RNA) where: Base-Base interactions energy: -1591.649 where: short stacking energy: -724.454 Base-Backbone interact. energy: -0.883 local terms energy: -844.344885 where: bonds (distance) C4'-P energy: -165.028 bonds (distance) P-C4' energy: -174.868 flat angles C4'-P-C4' energy: -182.490 flat angles P-C4'-P energy: -114.903 tors. eta vs tors. theta energy: -207.055 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: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2175.112318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.112318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.112318 (E_RNA) where: Base-Base interactions energy: -1441.996 where: short stacking energy: -602.230 Base-Backbone interact. energy: 4.591 local terms energy: -737.707357 where: bonds (distance) C4'-P energy: -165.154 bonds (distance) P-C4' energy: -153.758 flat angles C4'-P-C4' energy: -162.718 flat angles P-C4'-P energy: -83.661 tors. eta vs tors. theta energy: -172.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1810.608082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.608082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.608082 (E_RNA) where: Base-Base interactions energy: -1131.931 where: short stacking energy: -518.416 Base-Backbone interact. energy: 2.812 local terms energy: -681.488913 where: bonds (distance) C4'-P energy: -153.383 bonds (distance) P-C4' energy: -168.723 flat angles C4'-P-C4' energy: -142.286 flat angles P-C4'-P energy: -93.496 tors. eta vs tors. theta energy: -123.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1186.289348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.289348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.289348 (E_RNA) where: Base-Base interactions energy: -569.338 where: short stacking energy: -328.603 Base-Backbone interact. energy: -0.616 local terms energy: -616.335414 where: bonds (distance) C4'-P energy: -173.022 bonds (distance) P-C4' energy: -158.603 flat angles C4'-P-C4' energy: -166.775 flat angles P-C4'-P energy: -92.653 tors. eta vs tors. theta energy: -25.283 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: 5 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -928.849912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.849912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.849912 (E_RNA) where: Base-Base interactions energy: -403.092 where: short stacking energy: -250.191 Base-Backbone interact. energy: 1.489 local terms energy: -527.246541 where: bonds (distance) C4'-P energy: -149.698 bonds (distance) P-C4' energy: -163.841 flat angles C4'-P-C4' energy: -140.679 flat angles P-C4'-P energy: -72.482 tors. eta vs tors. theta energy: -0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -663.819226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.819226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.819226 (E_RNA) where: Base-Base interactions energy: -203.975 where: short stacking energy: -165.812 Base-Backbone interact. energy: 5.033 local terms energy: -464.876471 where: bonds (distance) C4'-P energy: -143.390 bonds (distance) P-C4' energy: -156.865 flat angles C4'-P-C4' energy: -133.988 flat angles P-C4'-P energy: -65.633 tors. eta vs tors. theta energy: 35.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3175.770852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.770852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.770852 (E_RNA) where: Base-Base interactions energy: -2223.096 where: short stacking energy: -875.390 Base-Backbone interact. energy: -0.574 local terms energy: -952.101691 where: bonds (distance) C4'-P energy: -179.925 bonds (distance) P-C4' energy: -191.748 flat angles C4'-P-C4' energy: -189.375 flat angles P-C4'-P energy: -127.705 tors. eta vs tors. theta energy: -263.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2983.767017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.767017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.767017 (E_RNA) where: Base-Base interactions energy: -2047.917 where: short stacking energy: -828.271 Base-Backbone interact. energy: -2.261 local terms energy: -933.588165 where: bonds (distance) C4'-P energy: -164.175 bonds (distance) P-C4' energy: -194.211 flat angles C4'-P-C4' energy: -208.042 flat angles P-C4'-P energy: -123.148 tors. eta vs tors. theta energy: -244.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2786.919107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.919107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.919107 (E_RNA) where: Base-Base interactions energy: -1884.311 where: short stacking energy: -791.403 Base-Backbone interact. energy: 0.484 local terms energy: -903.091873 where: bonds (distance) C4'-P energy: -169.240 bonds (distance) P-C4' energy: -160.747 flat angles C4'-P-C4' energy: -197.537 flat angles P-C4'-P energy: -137.489 tors. eta vs tors. theta energy: -238.079 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: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2684.437846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.437846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.437846 (E_RNA) where: Base-Base interactions energy: -1805.509 where: short stacking energy: -734.926 Base-Backbone interact. energy: -0.977 local terms energy: -877.951825 where: bonds (distance) C4'-P energy: -170.959 bonds (distance) P-C4' energy: -164.469 flat angles C4'-P-C4' energy: -195.692 flat angles P-C4'-P energy: -124.910 tors. eta vs tors. theta energy: -221.921 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: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2340.107143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.107143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.107143 (E_RNA) where: Base-Base interactions energy: -1496.951 where: short stacking energy: -627.412 Base-Backbone interact. energy: 11.872 local terms energy: -855.029088 where: bonds (distance) C4'-P energy: -153.353 bonds (distance) P-C4' energy: -178.793 flat angles C4'-P-C4' energy: -200.836 flat angles P-C4'-P energy: -120.533 tors. eta vs tors. theta energy: -201.514 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: 6, replica: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2148.177783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.177783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.177783 (E_RNA) where: Base-Base interactions energy: -1380.015 where: short stacking energy: -615.308 Base-Backbone interact. energy: -3.889 local terms energy: -764.273604 where: bonds (distance) C4'-P energy: -130.551 bonds (distance) P-C4' energy: -153.949 flat angles C4'-P-C4' energy: -176.580 flat angles P-C4'-P energy: -116.564 tors. eta vs tors. theta energy: -186.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1799.410443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.410443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.410443 (E_RNA) where: Base-Base interactions energy: -1132.032 where: short stacking energy: -514.938 Base-Backbone interact. energy: -0.118 local terms energy: -667.260732 where: bonds (distance) C4'-P energy: -139.111 bonds (distance) P-C4' energy: -181.162 flat angles C4'-P-C4' energy: -131.712 flat angles P-C4'-P energy: -109.652 tors. eta vs tors. theta energy: -105.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1150.590221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.590221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.590221 (E_RNA) where: Base-Base interactions energy: -602.469 where: short stacking energy: -315.789 Base-Backbone interact. energy: 1.790 local terms energy: -549.911217 where: bonds (distance) C4'-P energy: -155.458 bonds (distance) P-C4' energy: -165.540 flat angles C4'-P-C4' energy: -146.934 flat angles P-C4'-P energy: -58.586 tors. eta vs tors. theta energy: -23.392 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: 9, replica: 5 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -849.309123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.309123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.309123 (E_RNA) where: Base-Base interactions energy: -382.059 where: short stacking energy: -235.917 Base-Backbone interact. energy: 5.809 local terms energy: -473.059195 where: bonds (distance) C4'-P energy: -163.762 bonds (distance) P-C4' energy: -172.246 flat angles C4'-P-C4' energy: -105.931 flat angles P-C4'-P energy: -63.223 tors. eta vs tors. theta energy: 32.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -640.246558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.246558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.246558 (E_RNA) where: Base-Base interactions energy: -226.876 where: short stacking energy: -165.917 Base-Backbone interact. energy: 3.027 local terms energy: -416.397184 where: bonds (distance) C4'-P energy: -142.943 bonds (distance) P-C4' energy: -157.704 flat angles C4'-P-C4' energy: -105.015 flat angles P-C4'-P energy: -79.889 tors. eta vs tors. theta energy: 69.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3190.346138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.346138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.346138 (E_RNA) where: Base-Base interactions energy: -2196.712 where: short stacking energy: -895.803 Base-Backbone interact. energy: -6.751 local terms energy: -986.882625 where: bonds (distance) C4'-P energy: -173.244 bonds (distance) P-C4' energy: -189.821 flat angles C4'-P-C4' energy: -208.627 flat angles P-C4'-P energy: -141.034 tors. eta vs tors. theta energy: -274.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2952.992842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.992842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.992842 (E_RNA) where: Base-Base interactions energy: -2021.002 where: short stacking energy: -839.238 Base-Backbone interact. energy: -4.629 local terms energy: -927.361092 where: bonds (distance) C4'-P energy: -168.036 bonds (distance) P-C4' energy: -178.585 flat angles C4'-P-C4' energy: -194.762 flat angles P-C4'-P energy: -140.620 tors. eta vs tors. theta energy: -245.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2792.993185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.993185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.993185 (E_RNA) where: Base-Base interactions energy: -1902.859 where: short stacking energy: -763.479 Base-Backbone interact. energy: -8.382 local terms energy: -881.752822 where: bonds (distance) C4'-P energy: -168.287 bonds (distance) P-C4' energy: -170.900 flat angles C4'-P-C4' energy: -185.893 flat angles P-C4'-P energy: -129.441 tors. eta vs tors. theta energy: -227.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2679.891297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.891297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.891297 (E_RNA) where: Base-Base interactions energy: -1796.867 where: short stacking energy: -750.857 Base-Backbone interact. energy: -4.975 local terms energy: -878.048887 where: bonds (distance) C4'-P energy: -177.204 bonds (distance) P-C4' energy: -174.023 flat angles C4'-P-C4' energy: -186.048 flat angles P-C4'-P energy: -120.273 tors. eta vs tors. theta energy: -220.500 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: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2331.541389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.541389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.541389 (E_RNA) where: Base-Base interactions energy: -1562.507 where: short stacking energy: -709.234 Base-Backbone interact. energy: -1.147 local terms energy: -767.887643 where: bonds (distance) C4'-P energy: -139.907 bonds (distance) P-C4' energy: -148.211 flat angles C4'-P-C4' energy: -178.348 flat angles P-C4'-P energy: -116.845 tors. eta vs tors. theta energy: -184.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2124.229035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.229035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.229035 (E_RNA) where: Base-Base interactions energy: -1365.667 where: short stacking energy: -601.904 Base-Backbone interact. energy: -3.982 local terms energy: -754.579957 where: bonds (distance) C4'-P energy: -148.031 bonds (distance) P-C4' energy: -170.483 flat angles C4'-P-C4' energy: -177.257 flat angles P-C4'-P energy: -99.389 tors. eta vs tors. theta energy: -159.421 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: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1717.309371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.309371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.309371 (E_RNA) where: Base-Base interactions energy: -1057.957 where: short stacking energy: -486.910 Base-Backbone interact. energy: 8.258 local terms energy: -667.610125 where: bonds (distance) C4'-P energy: -160.546 bonds (distance) P-C4' energy: -160.408 flat angles C4'-P-C4' energy: -143.514 flat angles P-C4'-P energy: -98.973 tors. eta vs tors. theta energy: -104.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1145.697745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.697745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.697745 (E_RNA) where: Base-Base interactions energy: -591.477 where: short stacking energy: -316.023 Base-Backbone interact. energy: 3.409 local terms energy: -557.629504 where: bonds (distance) C4'-P energy: -139.821 bonds (distance) P-C4' energy: -168.776 flat angles C4'-P-C4' energy: -137.953 flat angles P-C4'-P energy: -91.449 tors. eta vs tors. theta energy: -19.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -825.700760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.700760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.700760 (E_RNA) where: Base-Base interactions energy: -320.722 where: short stacking energy: -210.982 Base-Backbone interact. energy: 5.337 local terms energy: -510.315762 where: bonds (distance) C4'-P energy: -135.805 bonds (distance) P-C4' energy: -156.613 flat angles C4'-P-C4' energy: -121.722 flat angles P-C4'-P energy: -97.763 tors. eta vs tors. theta energy: 1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -632.786531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.786531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.786531 (E_RNA) where: Base-Base interactions energy: -209.720 where: short stacking energy: -173.236 Base-Backbone interact. energy: 6.547 local terms energy: -429.613262 where: bonds (distance) C4'-P energy: -154.402 bonds (distance) P-C4' energy: -149.782 flat angles C4'-P-C4' energy: -99.717 flat angles P-C4'-P energy: -77.132 tors. eta vs tors. theta energy: 51.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3174.938591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.938591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.938591 (E_RNA) where: Base-Base interactions energy: -2191.942 where: short stacking energy: -893.481 Base-Backbone interact. energy: -3.707 local terms energy: -979.289890 where: bonds (distance) C4'-P energy: -173.485 bonds (distance) P-C4' energy: -189.703 flat angles C4'-P-C4' energy: -200.244 flat angles P-C4'-P energy: -135.987 tors. eta vs tors. theta energy: -279.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2920.789464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.789464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.789464 (E_RNA) where: Base-Base interactions energy: -2000.608 where: short stacking energy: -829.392 Base-Backbone interact. energy: -5.906 local terms energy: -914.275279 where: bonds (distance) C4'-P energy: -175.653 bonds (distance) P-C4' energy: -178.380 flat angles C4'-P-C4' energy: -195.734 flat angles P-C4'-P energy: -120.413 tors. eta vs tors. theta energy: -244.096 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: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2807.424503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.424503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.424503 (E_RNA) where: Base-Base interactions energy: -1918.080 where: short stacking energy: -833.125 Base-Backbone interact. energy: 2.244 local terms energy: -891.588769 where: bonds (distance) C4'-P energy: -172.243 bonds (distance) P-C4' energy: -163.577 flat angles C4'-P-C4' energy: -194.004 flat angles P-C4'-P energy: -121.578 tors. eta vs tors. theta energy: -240.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2741.370169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.370169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.370169 (E_RNA) where: Base-Base interactions energy: -1853.246 where: short stacking energy: -804.560 Base-Backbone interact. energy: -3.138 local terms energy: -884.985746 where: bonds (distance) C4'-P energy: -152.613 bonds (distance) P-C4' energy: -171.949 flat angles C4'-P-C4' energy: -198.549 flat angles P-C4'-P energy: -126.680 tors. eta vs tors. theta energy: -235.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2314.902889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.902889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.902889 (E_RNA) where: Base-Base interactions energy: -1500.671 where: short stacking energy: -632.240 Base-Backbone interact. energy: -3.616 local terms energy: -810.615270 where: bonds (distance) C4'-P energy: -183.074 bonds (distance) P-C4' energy: -155.838 flat angles C4'-P-C4' energy: -195.788 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -174.168 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: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2071.318263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.318263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.318263 (E_RNA) where: Base-Base interactions energy: -1327.550 where: short stacking energy: -580.687 Base-Backbone interact. energy: -4.705 local terms energy: -739.062973 where: bonds (distance) C4'-P energy: -161.011 bonds (distance) P-C4' energy: -168.743 flat angles C4'-P-C4' energy: -162.526 flat angles P-C4'-P energy: -100.637 tors. eta vs tors. theta energy: -146.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1718.066818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.066818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.066818 (E_RNA) where: Base-Base interactions energy: -1082.749 where: short stacking energy: -486.067 Base-Backbone interact. energy: -1.918 local terms energy: -633.400324 where: bonds (distance) C4'-P energy: -155.764 bonds (distance) P-C4' energy: -146.038 flat angles C4'-P-C4' energy: -156.827 flat angles P-C4'-P energy: -73.067 tors. eta vs tors. theta energy: -101.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1193.243666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.243666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.243666 (E_RNA) where: Base-Base interactions energy: -614.691 where: short stacking energy: -315.239 Base-Backbone interact. energy: 1.141 local terms energy: -579.693363 where: bonds (distance) C4'-P energy: -158.048 bonds (distance) P-C4' energy: -160.973 flat angles C4'-P-C4' energy: -156.519 flat angles P-C4'-P energy: -92.939 tors. eta vs tors. theta energy: -11.215 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: 5 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -875.511375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.511375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.511375 (E_RNA) where: Base-Base interactions energy: -396.981 where: short stacking energy: -216.154 Base-Backbone interact. energy: 1.804 local terms energy: -480.334905 where: bonds (distance) C4'-P energy: -129.402 bonds (distance) P-C4' energy: -147.462 flat angles C4'-P-C4' energy: -148.535 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: 15.685 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: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -689.991827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.991827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.991827 (E_RNA) where: Base-Base interactions energy: -199.429 where: short stacking energy: -155.959 Base-Backbone interact. energy: -3.542 local terms energy: -487.021130 where: bonds (distance) C4'-P energy: -142.857 bonds (distance) P-C4' energy: -170.544 flat angles C4'-P-C4' energy: -139.438 flat angles P-C4'-P energy: -71.963 tors. eta vs tors. theta energy: 37.782 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: 7 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3165.996724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.996724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.996724 (E_RNA) where: Base-Base interactions energy: -2202.491 where: short stacking energy: -869.029 Base-Backbone interact. energy: -2.559 local terms energy: -960.946935 where: bonds (distance) C4'-P energy: -173.714 bonds (distance) P-C4' energy: -181.633 flat angles C4'-P-C4' energy: -206.975 flat angles P-C4'-P energy: -141.621 tors. eta vs tors. theta energy: -257.005 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: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2943.002315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.002315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.002315 (E_RNA) where: Base-Base interactions energy: -2013.717 where: short stacking energy: -852.979 Base-Backbone interact. energy: -7.633 local terms energy: -921.652391 where: bonds (distance) C4'-P energy: -169.155 bonds (distance) P-C4' energy: -183.141 flat angles C4'-P-C4' energy: -208.246 flat angles P-C4'-P energy: -114.062 tors. eta vs tors. theta energy: -247.049 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: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2775.311493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.311493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.311493 (E_RNA) where: Base-Base interactions energy: -1873.513 where: short stacking energy: -797.239 Base-Backbone interact. energy: -3.559 local terms energy: -898.239309 where: bonds (distance) C4'-P energy: -167.779 bonds (distance) P-C4' energy: -175.795 flat angles C4'-P-C4' energy: -195.507 flat angles P-C4'-P energy: -136.289 tors. eta vs tors. theta energy: -222.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2705.862882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.862882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.862882 (E_RNA) where: Base-Base interactions energy: -1856.633 where: short stacking energy: -753.111 Base-Backbone interact. energy: -3.942 local terms energy: -845.288036 where: bonds (distance) C4'-P energy: -154.592 bonds (distance) P-C4' energy: -174.011 flat angles C4'-P-C4' energy: -181.737 flat angles P-C4'-P energy: -113.714 tors. eta vs tors. theta energy: -221.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2312.239473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.239473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.239473 (E_RNA) where: Base-Base interactions energy: -1514.922 where: short stacking energy: -642.944 Base-Backbone interact. energy: 0.739 local terms energy: -798.056562 where: bonds (distance) C4'-P energy: -163.298 bonds (distance) P-C4' energy: -147.911 flat angles C4'-P-C4' energy: -185.057 flat angles P-C4'-P energy: -126.798 tors. eta vs tors. theta energy: -174.993 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: 4 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2087.114975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.114975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.114975 (E_RNA) where: Base-Base interactions energy: -1333.608 where: short stacking energy: -600.428 Base-Backbone interact. energy: -4.206 local terms energy: -749.300734 where: bonds (distance) C4'-P energy: -153.131 bonds (distance) P-C4' energy: -160.589 flat angles C4'-P-C4' energy: -161.122 flat angles P-C4'-P energy: -109.331 tors. eta vs tors. theta energy: -165.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1692.798096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.798096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.798096 (E_RNA) where: Base-Base interactions energy: -1012.391 where: short stacking energy: -462.406 Base-Backbone interact. energy: 2.812 local terms energy: -683.219117 where: bonds (distance) C4'-P energy: -135.778 bonds (distance) P-C4' energy: -163.075 flat angles C4'-P-C4' energy: -158.827 flat angles P-C4'-P energy: -114.524 tors. eta vs tors. theta energy: -111.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1143.695396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.695396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.695396 (E_RNA) where: Base-Base interactions energy: -607.124 where: short stacking energy: -329.026 Base-Backbone interact. energy: -3.955 local terms energy: -532.616168 where: bonds (distance) C4'-P energy: -149.865 bonds (distance) P-C4' energy: -135.967 flat angles C4'-P-C4' energy: -144.287 flat angles P-C4'-P energy: -83.228 tors. eta vs tors. theta energy: -19.269 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: 470 Temperature: 1.300000 Total energy: -806.481934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.481934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.481934 (E_RNA) where: Base-Base interactions energy: -325.971 where: short stacking energy: -220.374 Base-Backbone interact. energy: -1.817 local terms energy: -478.694243 where: bonds (distance) C4'-P energy: -145.494 bonds (distance) P-C4' energy: -146.371 flat angles C4'-P-C4' energy: -130.103 flat angles P-C4'-P energy: -59.067 tors. eta vs tors. theta energy: 2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -659.472187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.472187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.472187 (E_RNA) where: Base-Base interactions energy: -238.291 where: short stacking energy: -204.323 Base-Backbone interact. energy: 5.764 local terms energy: -426.944941 where: bonds (distance) C4'-P energy: -162.953 bonds (distance) P-C4' energy: -143.071 flat angles C4'-P-C4' energy: -92.478 flat angles P-C4'-P energy: -44.565 tors. eta vs tors. theta energy: 16.122 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: 7 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3168.073601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.073601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.073601 (E_RNA) where: Base-Base interactions energy: -2184.911 where: short stacking energy: -876.981 Base-Backbone interact. energy: -5.537 local terms energy: -977.625625 where: bonds (distance) C4'-P energy: -196.048 bonds (distance) P-C4' energy: -175.790 flat angles C4'-P-C4' energy: -206.361 flat angles P-C4'-P energy: -136.021 tors. eta vs tors. theta energy: -263.405 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: 3 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2982.490834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.490834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.490834 (E_RNA) where: Base-Base interactions energy: -2064.873 where: short stacking energy: -849.661 Base-Backbone interact. energy: -0.570 local terms energy: -917.047465 where: bonds (distance) C4'-P energy: -152.416 bonds (distance) P-C4' energy: -182.414 flat angles C4'-P-C4' energy: -208.530 flat angles P-C4'-P energy: -129.505 tors. eta vs tors. theta energy: -244.183 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: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2797.245782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.245782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.245782 (E_RNA) where: Base-Base interactions energy: -1889.245 where: short stacking energy: -794.282 Base-Backbone interact. energy: -1.396 local terms energy: -906.604197 where: bonds (distance) C4'-P energy: -182.720 bonds (distance) P-C4' energy: -158.580 flat angles C4'-P-C4' energy: -193.680 flat angles P-C4'-P energy: -137.084 tors. eta vs tors. theta energy: -234.540 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: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2651.852309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.852309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.852309 (E_RNA) where: Base-Base interactions energy: -1798.335 where: short stacking energy: -728.560 Base-Backbone interact. energy: -2.569 local terms energy: -850.947418 where: bonds (distance) C4'-P energy: -158.387 bonds (distance) P-C4' energy: -152.931 flat angles C4'-P-C4' energy: -182.814 flat angles P-C4'-P energy: -150.648 tors. eta vs tors. theta energy: -206.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2343.887764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.887764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.887764 (E_RNA) where: Base-Base interactions energy: -1548.973 where: short stacking energy: -672.055 Base-Backbone interact. energy: 3.267 local terms energy: -798.182169 where: bonds (distance) C4'-P energy: -162.347 bonds (distance) P-C4' energy: -159.791 flat angles C4'-P-C4' energy: -191.284 flat angles P-C4'-P energy: -109.865 tors. eta vs tors. theta energy: -174.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2114.075412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.075412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.075412 (E_RNA) where: Base-Base interactions energy: -1356.776 where: short stacking energy: -600.274 Base-Backbone interact. energy: -2.276 local terms energy: -755.023599 where: bonds (distance) C4'-P energy: -153.816 bonds (distance) P-C4' energy: -157.298 flat angles C4'-P-C4' energy: -181.650 flat angles P-C4'-P energy: -101.353 tors. eta vs tors. theta energy: -160.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1716.418215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.418215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.418215 (E_RNA) where: Base-Base interactions energy: -1059.505 where: short stacking energy: -476.008 Base-Backbone interact. energy: -0.625 local terms energy: -656.288760 where: bonds (distance) C4'-P energy: -139.861 bonds (distance) P-C4' energy: -154.205 flat angles C4'-P-C4' energy: -158.939 flat angles P-C4'-P energy: -83.400 tors. eta vs tors. theta energy: -119.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1131.250013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.250013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.250013 (E_RNA) where: Base-Base interactions energy: -617.646 where: short stacking energy: -324.908 Base-Backbone interact. energy: -2.878 local terms energy: -510.725818 where: bonds (distance) C4'-P energy: -126.083 bonds (distance) P-C4' energy: -169.724 flat angles C4'-P-C4' energy: -108.924 flat angles P-C4'-P energy: -74.647 tors. eta vs tors. theta energy: -31.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -802.654485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.654485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.654485 (E_RNA) where: Base-Base interactions energy: -323.068 where: short stacking energy: -205.783 Base-Backbone interact. energy: 1.011 local terms energy: -480.596919 where: bonds (distance) C4'-P energy: -127.870 bonds (distance) P-C4' energy: -173.678 flat angles C4'-P-C4' energy: -137.735 flat angles P-C4'-P energy: -73.381 tors. eta vs tors. theta energy: 32.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -666.488411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.488411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.488411 (E_RNA) where: Base-Base interactions energy: -216.038 where: short stacking energy: -155.257 Base-Backbone interact. energy: 8.395 local terms energy: -458.845788 where: bonds (distance) C4'-P energy: -162.544 bonds (distance) P-C4' energy: -147.053 flat angles C4'-P-C4' energy: -132.801 flat angles P-C4'-P energy: -63.625 tors. eta vs tors. theta energy: 47.177 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: 7 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3169.910237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.910237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.910237 (E_RNA) where: Base-Base interactions energy: -2165.408 where: short stacking energy: -863.608 Base-Backbone interact. energy: -7.888 local terms energy: -996.614334 where: bonds (distance) C4'-P energy: -179.412 bonds (distance) P-C4' energy: -190.923 flat angles C4'-P-C4' energy: -202.177 flat angles P-C4'-P energy: -145.088 tors. eta vs tors. theta energy: -279.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2943.330668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.330668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.330668 (E_RNA) where: Base-Base interactions energy: -2020.757 where: short stacking energy: -815.923 Base-Backbone interact. energy: 1.275 local terms energy: -923.848589 where: bonds (distance) C4'-P energy: -168.076 bonds (distance) P-C4' energy: -167.058 flat angles C4'-P-C4' energy: -204.476 flat angles P-C4'-P energy: -136.485 tors. eta vs tors. theta energy: -247.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2826.246494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.246494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.246494 (E_RNA) where: Base-Base interactions energy: -1961.183 where: short stacking energy: -820.697 Base-Backbone interact. energy: -5.457 local terms energy: -859.606718 where: bonds (distance) C4'-P energy: -149.426 bonds (distance) P-C4' energy: -163.780 flat angles C4'-P-C4' energy: -195.180 flat angles P-C4'-P energy: -114.818 tors. eta vs tors. theta energy: -236.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2605.753523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.753523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.753523 (E_RNA) where: Base-Base interactions energy: -1757.247 where: short stacking energy: -703.838 Base-Backbone interact. energy: 6.801 local terms energy: -855.307823 where: bonds (distance) C4'-P energy: -171.864 bonds (distance) P-C4' energy: -171.581 flat angles C4'-P-C4' energy: -178.279 flat angles P-C4'-P energy: -128.995 tors. eta vs tors. theta energy: -204.588 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: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2371.938811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.938811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.938811 (E_RNA) where: Base-Base interactions energy: -1546.889 where: short stacking energy: -680.615 Base-Backbone interact. energy: -1.970 local terms energy: -823.079788 where: bonds (distance) C4'-P energy: -164.665 bonds (distance) P-C4' energy: -155.610 flat angles C4'-P-C4' energy: -186.946 flat angles P-C4'-P energy: -121.807 tors. eta vs tors. theta energy: -194.052 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: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2115.014758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.014758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.014758 (E_RNA) where: Base-Base interactions energy: -1398.305 where: short stacking energy: -597.147 Base-Backbone interact. energy: 0.552 local terms energy: -717.262143 where: bonds (distance) C4'-P energy: -144.419 bonds (distance) P-C4' energy: -151.470 flat angles C4'-P-C4' energy: -164.379 flat angles P-C4'-P energy: -94.254 tors. eta vs tors. theta energy: -162.740 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: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1697.841953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.841953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.841953 (E_RNA) where: Base-Base interactions energy: -1059.058 where: short stacking energy: -468.761 Base-Backbone interact. energy: -2.444 local terms energy: -636.340315 where: bonds (distance) C4'-P energy: -159.128 bonds (distance) P-C4' energy: -143.328 flat angles C4'-P-C4' energy: -146.580 flat angles P-C4'-P energy: -98.862 tors. eta vs tors. theta energy: -88.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1159.588769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.588769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.588769 (E_RNA) where: Base-Base interactions energy: -607.315 where: short stacking energy: -297.497 Base-Backbone interact. energy: 0.910 local terms energy: -553.183246 where: bonds (distance) C4'-P energy: -112.359 bonds (distance) P-C4' energy: -157.548 flat angles C4'-P-C4' energy: -156.811 flat angles P-C4'-P energy: -108.523 tors. eta vs tors. theta energy: -17.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -806.764630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.764630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.764630 (E_RNA) where: Base-Base interactions energy: -333.078 where: short stacking energy: -213.693 Base-Backbone interact. energy: -0.680 local terms energy: -473.005991 where: bonds (distance) C4'-P energy: -155.475 bonds (distance) P-C4' energy: -149.675 flat angles C4'-P-C4' energy: -117.935 flat angles P-C4'-P energy: -68.503 tors. eta vs tors. theta energy: 18.582 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: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -720.505896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.505896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.505896 (E_RNA) where: Base-Base interactions energy: -230.141 where: short stacking energy: -169.264 Base-Backbone interact. energy: -1.183 local terms energy: -489.181691 where: bonds (distance) C4'-P energy: -127.649 bonds (distance) P-C4' energy: -143.625 flat angles C4'-P-C4' energy: -135.533 flat angles P-C4'-P energy: -107.192 tors. eta vs tors. theta energy: 24.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3191.685991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.685991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.685991 (E_RNA) where: Base-Base interactions energy: -2225.668 where: short stacking energy: -874.892 Base-Backbone interact. energy: 5.066 local terms energy: -971.084792 where: bonds (distance) C4'-P energy: -158.745 bonds (distance) P-C4' energy: -196.062 flat angles C4'-P-C4' energy: -198.029 flat angles P-C4'-P energy: -143.714 tors. eta vs tors. theta energy: -274.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2956.880687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.880687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.880687 (E_RNA) where: Base-Base interactions energy: -2018.346 where: short stacking energy: -844.312 Base-Backbone interact. energy: -3.241 local terms energy: -935.293394 where: bonds (distance) C4'-P energy: -180.049 bonds (distance) P-C4' energy: -173.227 flat angles C4'-P-C4' energy: -192.336 flat angles P-C4'-P energy: -136.904 tors. eta vs tors. theta energy: -252.779 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: 473 Temperature: 1.000000 Total energy: -2805.367402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.367402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.367402 (E_RNA) where: Base-Base interactions energy: -1890.715 where: short stacking energy: -804.119 Base-Backbone interact. energy: -5.662 local terms energy: -908.991145 where: bonds (distance) C4'-P energy: -174.093 bonds (distance) P-C4' energy: -179.005 flat angles C4'-P-C4' energy: -188.250 flat angles P-C4'-P energy: -130.359 tors. eta vs tors. theta energy: -237.284 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: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2597.976592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.976592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.976592 (E_RNA) where: Base-Base interactions energy: -1793.952 where: short stacking energy: -730.229 Base-Backbone interact. energy: -4.562 local terms energy: -799.463048 where: bonds (distance) C4'-P energy: -144.101 bonds (distance) P-C4' energy: -154.583 flat angles C4'-P-C4' energy: -184.715 flat angles P-C4'-P energy: -106.141 tors. eta vs tors. theta energy: -209.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2408.556645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.556645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.556645 (E_RNA) where: Base-Base interactions energy: -1583.310 where: short stacking energy: -699.203 Base-Backbone interact. energy: 1.567 local terms energy: -826.813250 where: bonds (distance) C4'-P energy: -156.377 bonds (distance) P-C4' energy: -169.377 flat angles C4'-P-C4' energy: -186.370 flat angles P-C4'-P energy: -123.519 tors. eta vs tors. theta energy: -191.170 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: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2038.345557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.345557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.345557 (E_RNA) where: Base-Base interactions energy: -1289.163 where: short stacking energy: -565.045 Base-Backbone interact. energy: -1.925 local terms energy: -747.257784 where: bonds (distance) C4'-P energy: -152.740 bonds (distance) P-C4' energy: -173.083 flat angles C4'-P-C4' energy: -168.750 flat angles P-C4'-P energy: -88.013 tors. eta vs tors. theta energy: -164.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1757.582932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.582932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.582932 (E_RNA) where: Base-Base interactions energy: -1118.847 where: short stacking energy: -495.427 Base-Backbone interact. energy: -2.771 local terms energy: -635.965292 where: bonds (distance) C4'-P energy: -149.257 bonds (distance) P-C4' energy: -153.352 flat angles C4'-P-C4' energy: -145.544 flat angles P-C4'-P energy: -91.227 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: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1102.083095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.083095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.083095 (E_RNA) where: Base-Base interactions energy: -553.857 where: short stacking energy: -269.647 Base-Backbone interact. energy: 12.848 local terms energy: -561.074281 where: bonds (distance) C4'-P energy: -165.200 bonds (distance) P-C4' energy: -156.143 flat angles C4'-P-C4' energy: -152.730 flat angles P-C4'-P energy: -75.252 tors. eta vs tors. theta energy: -11.749 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: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -856.530722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.530722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.530722 (E_RNA) where: Base-Base interactions energy: -351.979 where: short stacking energy: -225.304 Base-Backbone interact. energy: 10.639 local terms energy: -515.191183 where: bonds (distance) C4'-P energy: -138.239 bonds (distance) P-C4' energy: -167.381 flat angles C4'-P-C4' energy: -124.159 flat angles P-C4'-P energy: -93.672 tors. eta vs tors. theta energy: 8.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -648.281575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.281575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.281575 (E_RNA) where: Base-Base interactions energy: -208.932 where: short stacking energy: -170.968 Base-Backbone interact. energy: 1.179 local terms energy: -440.528126 where: bonds (distance) C4'-P energy: -128.176 bonds (distance) P-C4' energy: -137.347 flat angles C4'-P-C4' energy: -123.674 flat angles P-C4'-P energy: -82.613 tors. eta vs tors. theta energy: 31.283 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: 7 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3203.651895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.651895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.651895 (E_RNA) where: Base-Base interactions energy: -2224.038 where: short stacking energy: -900.304 Base-Backbone interact. energy: -1.553 local terms energy: -978.061570 where: bonds (distance) C4'-P energy: -183.942 bonds (distance) P-C4' energy: -179.935 flat angles C4'-P-C4' energy: -206.782 flat angles P-C4'-P energy: -136.163 tors. eta vs tors. theta energy: -271.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2956.073274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.073274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.073274 (E_RNA) where: Base-Base interactions energy: -2039.692 where: short stacking energy: -848.561 Base-Backbone interact. energy: 1.293 local terms energy: -917.673772 where: bonds (distance) C4'-P energy: -158.706 bonds (distance) P-C4' energy: -181.428 flat angles C4'-P-C4' energy: -209.307 flat angles P-C4'-P energy: -113.521 tors. eta vs tors. theta energy: -254.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2803.558663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.558663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.558663 (E_RNA) where: Base-Base interactions energy: -1896.685 where: short stacking energy: -834.422 Base-Backbone interact. energy: -3.402 local terms energy: -903.471045 where: bonds (distance) C4'-P energy: -184.522 bonds (distance) P-C4' energy: -154.872 flat angles C4'-P-C4' energy: -192.483 flat angles P-C4'-P energy: -125.059 tors. eta vs tors. theta energy: -246.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2623.986831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.986831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.986831 (E_RNA) where: Base-Base interactions energy: -1783.196 where: short stacking energy: -718.262 Base-Backbone interact. energy: -3.551 local terms energy: -837.240145 where: bonds (distance) C4'-P energy: -158.161 bonds (distance) P-C4' energy: -144.168 flat angles C4'-P-C4' energy: -189.328 flat angles P-C4'-P energy: -138.899 tors. eta vs tors. theta energy: -206.684 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: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2377.842870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.842870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.842870 (E_RNA) where: Base-Base interactions energy: -1591.361 where: short stacking energy: -675.694 Base-Backbone interact. energy: -3.750 local terms energy: -782.732240 where: bonds (distance) C4'-P energy: -169.059 bonds (distance) P-C4' energy: -172.702 flat angles C4'-P-C4' energy: -173.617 flat angles P-C4'-P energy: -101.022 tors. eta vs tors. theta energy: -166.333 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: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2031.774648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.774648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.774648 (E_RNA) where: Base-Base interactions energy: -1303.239 where: short stacking energy: -588.649 Base-Backbone interact. energy: 4.091 local terms energy: -732.627269 where: bonds (distance) C4'-P energy: -154.560 bonds (distance) P-C4' energy: -161.741 flat angles C4'-P-C4' energy: -160.654 flat angles P-C4'-P energy: -96.277 tors. eta vs tors. theta energy: -159.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1823.361846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.361846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.361846 (E_RNA) where: Base-Base interactions energy: -1136.832 where: short stacking energy: -489.955 Base-Backbone interact. energy: 2.936 local terms energy: -689.465378 where: bonds (distance) C4'-P energy: -139.906 bonds (distance) P-C4' energy: -173.486 flat angles C4'-P-C4' energy: -162.318 flat angles P-C4'-P energy: -102.663 tors. eta vs tors. theta energy: -111.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1113.752745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.752745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.752745 (E_RNA) where: Base-Base interactions energy: -605.919 where: short stacking energy: -317.393 Base-Backbone interact. energy: -0.288 local terms energy: -507.545837 where: bonds (distance) C4'-P energy: -143.285 bonds (distance) P-C4' energy: -156.237 flat angles C4'-P-C4' energy: -116.461 flat angles P-C4'-P energy: -68.671 tors. eta vs tors. theta energy: -22.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -825.842306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.842306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.842306 (E_RNA) where: Base-Base interactions energy: -336.532 where: short stacking energy: -171.281 Base-Backbone interact. energy: 1.605 local terms energy: -490.914623 where: bonds (distance) C4'-P energy: -151.859 bonds (distance) P-C4' energy: -170.571 flat angles C4'-P-C4' energy: -128.424 flat angles P-C4'-P energy: -85.812 tors. eta vs tors. theta energy: 45.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -683.132981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.132981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.132981 (E_RNA) where: Base-Base interactions energy: -221.289 where: short stacking energy: -185.553 Base-Backbone interact. energy: -4.978 local terms energy: -456.866625 where: bonds (distance) C4'-P energy: -126.889 bonds (distance) P-C4' energy: -157.195 flat angles C4'-P-C4' energy: -131.986 flat angles P-C4'-P energy: -85.488 tors. eta vs tors. theta energy: 44.692 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: 7 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3159.850762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.850762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.850762 (E_RNA) where: Base-Base interactions energy: -2182.676 where: short stacking energy: -900.370 Base-Backbone interact. energy: -7.281 local terms energy: -969.892947 where: bonds (distance) C4'-P energy: -175.897 bonds (distance) P-C4' energy: -179.863 flat angles C4'-P-C4' energy: -194.830 flat angles P-C4'-P energy: -146.667 tors. eta vs tors. theta energy: -272.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2963.259149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.259149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.259149 (E_RNA) where: Base-Base interactions energy: -2017.701 where: short stacking energy: -846.076 Base-Backbone interact. energy: -3.544 local terms energy: -942.014252 where: bonds (distance) C4'-P energy: -184.205 bonds (distance) P-C4' energy: -177.624 flat angles C4'-P-C4' energy: -201.445 flat angles P-C4'-P energy: -138.028 tors. eta vs tors. theta energy: -240.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2817.437363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.437363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.437363 (E_RNA) where: Base-Base interactions energy: -1929.552 where: short stacking energy: -804.370 Base-Backbone interact. energy: -0.382 local terms energy: -887.503086 where: bonds (distance) C4'-P energy: -169.983 bonds (distance) P-C4' energy: -158.956 flat angles C4'-P-C4' energy: -189.580 flat angles P-C4'-P energy: -126.061 tors. eta vs tors. theta energy: -242.922 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: 475 Temperature: 1.050000 Total energy: -2564.420052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.420052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.420052 (E_RNA) where: Base-Base interactions energy: -1715.090 where: short stacking energy: -696.135 Base-Backbone interact. energy: 0.258 local terms energy: -849.588135 where: bonds (distance) C4'-P energy: -157.658 bonds (distance) P-C4' energy: -187.578 flat angles C4'-P-C4' energy: -191.082 flat angles P-C4'-P energy: -105.539 tors. eta vs tors. theta energy: -207.732 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: 2 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2423.262038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.262038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.262038 (E_RNA) where: Base-Base interactions energy: -1662.167 where: short stacking energy: -689.908 Base-Backbone interact. energy: 3.829 local terms energy: -764.923575 where: bonds (distance) C4'-P energy: -149.613 bonds (distance) P-C4' energy: -161.724 flat angles C4'-P-C4' energy: -173.460 flat angles P-C4'-P energy: -98.094 tors. eta vs tors. theta energy: -182.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2023.469576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.469576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.469576 (E_RNA) where: Base-Base interactions energy: -1308.840 where: short stacking energy: -608.318 Base-Backbone interact. energy: -1.912 local terms energy: -712.717240 where: bonds (distance) C4'-P energy: -137.681 bonds (distance) P-C4' energy: -165.348 flat angles C4'-P-C4' energy: -164.261 flat angles P-C4'-P energy: -86.522 tors. eta vs tors. theta energy: -158.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1731.963830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.963830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.963830 (E_RNA) where: Base-Base interactions energy: -1075.922 where: short stacking energy: -458.377 Base-Backbone interact. energy: -0.360 local terms energy: -655.681733 where: bonds (distance) C4'-P energy: -139.592 bonds (distance) P-C4' energy: -162.626 flat angles C4'-P-C4' energy: -165.602 flat angles P-C4'-P energy: -105.728 tors. eta vs tors. theta energy: -82.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1172.936545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.936545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.936545 (E_RNA) where: Base-Base interactions energy: -626.069 where: short stacking energy: -341.377 Base-Backbone interact. energy: -1.993 local terms energy: -544.874751 where: bonds (distance) C4'-P energy: -147.201 bonds (distance) P-C4' energy: -153.970 flat angles C4'-P-C4' energy: -157.442 flat angles P-C4'-P energy: -67.645 tors. eta vs tors. theta energy: -18.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -803.226123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.226123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.226123 (E_RNA) where: Base-Base interactions energy: -316.617 where: short stacking energy: -204.637 Base-Backbone interact. energy: -3.770 local terms energy: -482.839074 where: bonds (distance) C4'-P energy: -145.876 bonds (distance) P-C4' energy: -154.885 flat angles C4'-P-C4' energy: -139.692 flat angles P-C4'-P energy: -73.015 tors. eta vs tors. theta energy: 30.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -672.933390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.933390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.933390 (E_RNA) where: Base-Base interactions energy: -260.879 where: short stacking energy: -163.289 Base-Backbone interact. energy: 13.646 local terms energy: -425.701188 where: bonds (distance) C4'-P energy: -167.265 bonds (distance) P-C4' energy: -136.962 flat angles C4'-P-C4' energy: -108.355 flat angles P-C4'-P energy: -82.638 tors. eta vs tors. theta energy: 69.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3168.581191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.581191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.581191 (E_RNA) where: Base-Base interactions energy: -2192.109 where: short stacking energy: -905.533 Base-Backbone interact. energy: -2.728 local terms energy: -973.744655 where: bonds (distance) C4'-P energy: -180.033 bonds (distance) P-C4' energy: -176.331 flat angles C4'-P-C4' energy: -194.932 flat angles P-C4'-P energy: -141.038 tors. eta vs tors. theta energy: -281.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2958.616335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.616335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.616335 (E_RNA) where: Base-Base interactions energy: -2024.444 where: short stacking energy: -848.464 Base-Backbone interact. energy: -1.566 local terms energy: -932.606317 where: bonds (distance) C4'-P energy: -162.740 bonds (distance) P-C4' energy: -168.064 flat angles C4'-P-C4' energy: -204.817 flat angles P-C4'-P energy: -145.832 tors. eta vs tors. theta energy: -251.153 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: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2825.336002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.336002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.336002 (E_RNA) where: Base-Base interactions energy: -1926.679 where: short stacking energy: -844.199 Base-Backbone interact. energy: -4.012 local terms energy: -894.644172 where: bonds (distance) C4'-P energy: -157.348 bonds (distance) P-C4' energy: -172.871 flat angles C4'-P-C4' energy: -194.521 flat angles P-C4'-P energy: -124.703 tors. eta vs tors. theta energy: -245.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2531.839320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.839320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.839320 (E_RNA) where: Base-Base interactions energy: -1709.694 where: short stacking energy: -705.375 Base-Backbone interact. energy: -6.718 local terms energy: -815.426927 where: bonds (distance) C4'-P energy: -160.648 bonds (distance) P-C4' energy: -157.723 flat angles C4'-P-C4' energy: -177.562 flat angles P-C4'-P energy: -125.179 tors. eta vs tors. theta energy: -194.315 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: 2 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2455.955665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.955665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.955665 (E_RNA) where: Base-Base interactions energy: -1638.199 where: short stacking energy: -713.413 Base-Backbone interact. energy: 4.717 local terms energy: -822.473411 where: bonds (distance) C4'-P energy: -153.930 bonds (distance) P-C4' energy: -180.987 flat angles C4'-P-C4' energy: -173.639 flat angles P-C4'-P energy: -118.858 tors. eta vs tors. theta energy: -195.059 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: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2054.580436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.580436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.580436 (E_RNA) where: Base-Base interactions energy: -1325.534 where: short stacking energy: -592.900 Base-Backbone interact. energy: 0.952 local terms energy: -729.998322 where: bonds (distance) C4'-P energy: -159.160 bonds (distance) P-C4' energy: -153.856 flat angles C4'-P-C4' energy: -181.692 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -142.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1770.716657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.716657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.716657 (E_RNA) where: Base-Base interactions energy: -1123.220 where: short stacking energy: -501.617 Base-Backbone interact. energy: -5.126 local terms energy: -642.370723 where: bonds (distance) C4'-P energy: -141.177 bonds (distance) P-C4' energy: -146.261 flat angles C4'-P-C4' energy: -155.807 flat angles P-C4'-P energy: -93.664 tors. eta vs tors. theta energy: -105.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1201.761786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.761786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.761786 (E_RNA) where: Base-Base interactions energy: -610.779 where: short stacking energy: -308.275 Base-Backbone interact. energy: 0.625 local terms energy: -591.607686 where: bonds (distance) C4'-P energy: -164.286 bonds (distance) P-C4' energy: -179.888 flat angles C4'-P-C4' energy: -133.548 flat angles P-C4'-P energy: -90.159 tors. eta vs tors. theta energy: -23.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -808.361459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.361459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.361459 (E_RNA) where: Base-Base interactions energy: -335.251 where: short stacking energy: -228.479 Base-Backbone interact. energy: 5.240 local terms energy: -478.350790 where: bonds (distance) C4'-P energy: -135.903 bonds (distance) P-C4' energy: -166.060 flat angles C4'-P-C4' energy: -154.212 flat angles P-C4'-P energy: -59.988 tors. eta vs tors. theta energy: 37.812 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: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -682.414753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.414753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.414753 (E_RNA) where: Base-Base interactions energy: -277.472 where: short stacking energy: -181.874 Base-Backbone interact. energy: 1.880 local terms energy: -406.822342 where: bonds (distance) C4'-P energy: -163.174 bonds (distance) P-C4' energy: -141.383 flat angles C4'-P-C4' energy: -116.986 flat angles P-C4'-P energy: -42.636 tors. eta vs tors. theta energy: 57.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3136.075414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.075414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.075414 (E_RNA) where: Base-Base interactions energy: -2171.587 where: short stacking energy: -894.619 Base-Backbone interact. energy: -4.232 local terms energy: -960.256326 where: bonds (distance) C4'-P energy: -182.896 bonds (distance) P-C4' energy: -166.895 flat angles C4'-P-C4' energy: -204.873 flat angles P-C4'-P energy: -135.469 tors. eta vs tors. theta energy: -270.125 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: 3 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2962.354986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.354986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.354986 (E_RNA) where: Base-Base interactions energy: -2047.923 where: short stacking energy: -832.556 Base-Backbone interact. energy: 4.368 local terms energy: -918.799339 where: bonds (distance) C4'-P energy: -170.532 bonds (distance) P-C4' energy: -182.147 flat angles C4'-P-C4' energy: -184.660 flat angles P-C4'-P energy: -121.458 tors. eta vs tors. theta energy: -260.002 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: 477 Temperature: 1.000000 Total energy: -2853.689405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.689405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.689405 (E_RNA) where: Base-Base interactions energy: -1920.872 where: short stacking energy: -820.985 Base-Backbone interact. energy: -3.260 local terms energy: -929.557588 where: bonds (distance) C4'-P energy: -176.082 bonds (distance) P-C4' energy: -164.837 flat angles C4'-P-C4' energy: -195.485 flat angles P-C4'-P energy: -144.071 tors. eta vs tors. theta energy: -249.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2565.700781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.700781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.700781 (E_RNA) where: Base-Base interactions energy: -1736.384 where: short stacking energy: -697.124 Base-Backbone interact. energy: -4.749 local terms energy: -824.567950 where: bonds (distance) C4'-P energy: -153.513 bonds (distance) P-C4' energy: -180.406 flat angles C4'-P-C4' energy: -179.329 flat angles P-C4'-P energy: -112.697 tors. eta vs tors. theta energy: -198.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2432.806753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.806753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.806753 (E_RNA) where: Base-Base interactions energy: -1619.707 where: short stacking energy: -710.162 Base-Backbone interact. energy: -0.316 local terms energy: -812.783690 where: bonds (distance) C4'-P energy: -138.740 bonds (distance) P-C4' energy: -157.590 flat angles C4'-P-C4' energy: -197.277 flat angles P-C4'-P energy: -117.633 tors. eta vs tors. theta energy: -201.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2048.576418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.576418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.576418 (E_RNA) where: Base-Base interactions energy: -1303.770 where: short stacking energy: -557.192 Base-Backbone interact. energy: 3.217 local terms energy: -748.023225 where: bonds (distance) C4'-P energy: -145.794 bonds (distance) P-C4' energy: -190.909 flat angles C4'-P-C4' energy: -175.757 flat angles P-C4'-P energy: -105.294 tors. eta vs tors. theta energy: -130.270 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: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1774.817104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.817104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.817104 (E_RNA) where: Base-Base interactions energy: -1063.244 where: short stacking energy: -471.503 Base-Backbone interact. energy: -0.694 local terms energy: -710.879351 where: bonds (distance) C4'-P energy: -167.744 bonds (distance) P-C4' energy: -162.011 flat angles C4'-P-C4' energy: -173.568 flat angles P-C4'-P energy: -104.316 tors. eta vs tors. theta energy: -103.240 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: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1177.403547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.403547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.403547 (E_RNA) where: Base-Base interactions energy: -627.451 where: short stacking energy: -338.340 Base-Backbone interact. energy: -0.915 local terms energy: -549.038464 where: bonds (distance) C4'-P energy: -135.606 bonds (distance) P-C4' energy: -166.549 flat angles C4'-P-C4' energy: -132.236 flat angles P-C4'-P energy: -70.644 tors. eta vs tors. theta energy: -44.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -772.407285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.407285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.407285 (E_RNA) where: Base-Base interactions energy: -301.973 where: short stacking energy: -218.679 Base-Backbone interact. energy: 6.107 local terms energy: -476.541226 where: bonds (distance) C4'-P energy: -144.357 bonds (distance) P-C4' energy: -131.842 flat angles C4'-P-C4' energy: -160.298 flat angles P-C4'-P energy: -82.571 tors. eta vs tors. theta energy: 42.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -664.181711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.181711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.181711 (E_RNA) where: Base-Base interactions energy: -206.881 where: short stacking energy: -144.027 Base-Backbone interact. energy: -1.415 local terms energy: -455.884786 where: bonds (distance) C4'-P energy: -158.750 bonds (distance) P-C4' energy: -161.035 flat angles C4'-P-C4' energy: -140.678 flat angles P-C4'-P energy: -55.544 tors. eta vs tors. theta energy: 60.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3191.899949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.899949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.899949 (E_RNA) where: Base-Base interactions energy: -2210.341 where: short stacking energy: -879.934 Base-Backbone interact. energy: -6.353 local terms energy: -975.206781 where: bonds (distance) C4'-P energy: -157.455 bonds (distance) P-C4' energy: -212.237 flat angles C4'-P-C4' energy: -201.859 flat angles P-C4'-P energy: -137.063 tors. eta vs tors. theta energy: -266.594 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: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2990.461657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.461657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.461657 (E_RNA) where: Base-Base interactions energy: -2039.931 where: short stacking energy: -829.226 Base-Backbone interact. energy: 6.186 local terms energy: -956.716153 where: bonds (distance) C4'-P energy: -179.837 bonds (distance) P-C4' energy: -193.933 flat angles C4'-P-C4' energy: -207.717 flat angles P-C4'-P energy: -132.572 tors. eta vs tors. theta energy: -242.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2820.940648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.940648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.940648 (E_RNA) where: Base-Base interactions energy: -1897.002 where: short stacking energy: -815.263 Base-Backbone interact. energy: 0.416 local terms energy: -924.355456 where: bonds (distance) C4'-P energy: -174.475 bonds (distance) P-C4' energy: -169.446 flat angles C4'-P-C4' energy: -213.464 flat angles P-C4'-P energy: -130.139 tors. eta vs tors. theta energy: -236.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2582.767376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.767376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.767376 (E_RNA) where: Base-Base interactions energy: -1745.038 where: short stacking energy: -724.874 Base-Backbone interact. energy: -1.096 local terms energy: -836.632887 where: bonds (distance) C4'-P energy: -163.391 bonds (distance) P-C4' energy: -166.281 flat angles C4'-P-C4' energy: -186.924 flat angles P-C4'-P energy: -113.408 tors. eta vs tors. theta energy: -206.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2330.802110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.802110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.802110 (E_RNA) where: Base-Base interactions energy: -1547.606 where: short stacking energy: -636.165 Base-Backbone interact. energy: -3.756 local terms energy: -779.439925 where: bonds (distance) C4'-P energy: -143.077 bonds (distance) P-C4' energy: -164.381 flat angles C4'-P-C4' energy: -187.665 flat angles P-C4'-P energy: -124.035 tors. eta vs tors. theta energy: -160.283 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: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2020.460294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.460294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.460294 (E_RNA) where: Base-Base interactions energy: -1288.534 where: short stacking energy: -594.723 Base-Backbone interact. energy: -1.675 local terms energy: -730.250601 where: bonds (distance) C4'-P energy: -144.509 bonds (distance) P-C4' energy: -162.467 flat angles C4'-P-C4' energy: -180.543 flat angles P-C4'-P energy: -90.010 tors. eta vs tors. theta energy: -152.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1876.862070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.862070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.862070 (E_RNA) where: Base-Base interactions energy: -1154.714 where: short stacking energy: -518.280 Base-Backbone interact. energy: -3.894 local terms energy: -718.254721 where: bonds (distance) C4'-P energy: -150.790 bonds (distance) P-C4' energy: -152.737 flat angles C4'-P-C4' energy: -173.429 flat angles P-C4'-P energy: -101.446 tors. eta vs tors. theta energy: -139.853 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: 1 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1248.036693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.036693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.036693 (E_RNA) where: Base-Base interactions energy: -696.865 where: short stacking energy: -347.256 Base-Backbone interact. energy: -2.811 local terms energy: -548.360381 where: bonds (distance) C4'-P energy: -118.750 bonds (distance) P-C4' energy: -167.336 flat angles C4'-P-C4' energy: -135.051 flat angles P-C4'-P energy: -83.424 tors. eta vs tors. theta energy: -43.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -849.703021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.703021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.703021 (E_RNA) where: Base-Base interactions energy: -333.476 where: short stacking energy: -225.675 Base-Backbone interact. energy: -3.772 local terms energy: -512.455419 where: bonds (distance) C4'-P energy: -133.875 bonds (distance) P-C4' energy: -149.507 flat angles C4'-P-C4' energy: -156.996 flat angles P-C4'-P energy: -81.714 tors. eta vs tors. theta energy: 9.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -631.318966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.318966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.318966 (E_RNA) where: Base-Base interactions energy: -224.830 where: short stacking energy: -188.162 Base-Backbone interact. energy: 3.353 local terms energy: -409.841542 where: bonds (distance) C4'-P energy: -124.103 bonds (distance) P-C4' energy: -152.686 flat angles C4'-P-C4' energy: -103.883 flat angles P-C4'-P energy: -61.523 tors. eta vs tors. theta energy: 32.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3186.085304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.085304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.085304 (E_RNA) where: Base-Base interactions energy: -2208.948 where: short stacking energy: -898.846 Base-Backbone interact. energy: -1.634 local terms energy: -975.503592 where: bonds (distance) C4'-P energy: -181.066 bonds (distance) P-C4' energy: -169.973 flat angles C4'-P-C4' energy: -204.041 flat angles P-C4'-P energy: -140.488 tors. eta vs tors. theta energy: -279.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2974.315539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.315539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.315539 (E_RNA) where: Base-Base interactions energy: -2056.693 where: short stacking energy: -842.900 Base-Backbone interact. energy: 3.568 local terms energy: -921.190832 where: bonds (distance) C4'-P energy: -161.121 bonds (distance) P-C4' energy: -185.776 flat angles C4'-P-C4' energy: -195.803 flat angles P-C4'-P energy: -131.637 tors. eta vs tors. theta energy: -246.854 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: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2810.684184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.684184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.684184 (E_RNA) where: Base-Base interactions energy: -1931.596 where: short stacking energy: -817.385 Base-Backbone interact. energy: -4.398 local terms energy: -874.690211 where: bonds (distance) C4'-P energy: -146.893 bonds (distance) P-C4' energy: -163.785 flat angles C4'-P-C4' energy: -197.240 flat angles P-C4'-P energy: -129.612 tors. eta vs tors. theta energy: -237.161 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: 4, replica: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2611.615371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.615371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.615371 (E_RNA) where: Base-Base interactions energy: -1764.937 where: short stacking energy: -758.533 Base-Backbone interact. energy: -5.899 local terms energy: -840.779097 where: bonds (distance) C4'-P energy: -153.465 bonds (distance) P-C4' energy: -162.581 flat angles C4'-P-C4' energy: -205.034 flat angles P-C4'-P energy: -98.894 tors. eta vs tors. theta energy: -220.804 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: 2 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2382.052815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.052815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.052815 (E_RNA) where: Base-Base interactions energy: -1569.164 where: short stacking energy: -688.489 Base-Backbone interact. energy: 0.595 local terms energy: -813.484577 where: bonds (distance) C4'-P energy: -166.464 bonds (distance) P-C4' energy: -174.623 flat angles C4'-P-C4' energy: -172.586 flat angles P-C4'-P energy: -127.709 tors. eta vs tors. theta energy: -172.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2071.316811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.316811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.316811 (E_RNA) where: Base-Base interactions energy: -1345.260 where: short stacking energy: -592.486 Base-Backbone interact. energy: -0.124 local terms energy: -725.932999 where: bonds (distance) C4'-P energy: -150.867 bonds (distance) P-C4' energy: -157.598 flat angles C4'-P-C4' energy: -153.327 flat angles P-C4'-P energy: -101.250 tors. eta vs tors. theta energy: -162.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1836.820991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.820991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.820991 (E_RNA) where: Base-Base interactions energy: -1170.219 where: short stacking energy: -545.500 Base-Backbone interact. energy: -1.307 local terms energy: -665.294465 where: bonds (distance) C4'-P energy: -124.360 bonds (distance) P-C4' energy: -149.814 flat angles C4'-P-C4' energy: -151.966 flat angles P-C4'-P energy: -103.466 tors. eta vs tors. theta energy: -135.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1273.056915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.056915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.056915 (E_RNA) where: Base-Base interactions energy: -706.106 where: short stacking energy: -302.606 Base-Backbone interact. energy: -3.464 local terms energy: -563.486813 where: bonds (distance) C4'-P energy: -157.134 bonds (distance) P-C4' energy: -156.339 flat angles C4'-P-C4' energy: -145.195 flat angles P-C4'-P energy: -82.524 tors. eta vs tors. theta energy: -22.294 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: 479 Temperature: 1.300000 Total energy: -802.892558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.892558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.892558 (E_RNA) where: Base-Base interactions energy: -330.141 where: short stacking energy: -225.026 Base-Backbone interact. energy: -0.449 local terms energy: -472.303265 where: bonds (distance) C4'-P energy: -149.779 bonds (distance) P-C4' energy: -144.566 flat angles C4'-P-C4' energy: -123.685 flat angles P-C4'-P energy: -81.011 tors. eta vs tors. theta energy: 26.738 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: 8 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -645.256951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.256951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.256951 (E_RNA) where: Base-Base interactions energy: -219.599 where: short stacking energy: -181.538 Base-Backbone interact. energy: 4.744 local terms energy: -430.401765 where: bonds (distance) C4'-P energy: -142.505 bonds (distance) P-C4' energy: -150.010 flat angles C4'-P-C4' energy: -99.906 flat angles P-C4'-P energy: -58.915 tors. eta vs tors. theta energy: 20.935 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: 1, replica: 7 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3211.296802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.296802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.296802 (E_RNA) where: Base-Base interactions energy: -2230.535 where: short stacking energy: -894.782 Base-Backbone interact. energy: -4.192 local terms energy: -976.569334 where: bonds (distance) C4'-P energy: -178.308 bonds (distance) P-C4' energy: -188.651 flat angles C4'-P-C4' energy: -192.407 flat angles P-C4'-P energy: -144.388 tors. eta vs tors. theta energy: -272.816 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: 3 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2987.488922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.488922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.488922 (E_RNA) where: Base-Base interactions energy: -2055.053 where: short stacking energy: -843.028 Base-Backbone interact. energy: -2.207 local terms energy: -930.228952 where: bonds (distance) C4'-P energy: -180.747 bonds (distance) P-C4' energy: -181.006 flat angles C4'-P-C4' energy: -195.448 flat angles P-C4'-P energy: -124.289 tors. eta vs tors. theta energy: -248.739 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: 480 Temperature: 1.000000 Total energy: -2831.056083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.056083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.056083 (E_RNA) where: Base-Base interactions energy: -1928.187 where: short stacking energy: -810.469 Base-Backbone interact. energy: -2.249 local terms energy: -900.620469 where: bonds (distance) C4'-P energy: -164.976 bonds (distance) P-C4' energy: -174.998 flat angles C4'-P-C4' energy: -189.353 flat angles P-C4'-P energy: -127.463 tors. eta vs tors. theta energy: -243.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2528.865656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.865656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.865656 (E_RNA) where: Base-Base interactions energy: -1723.681 where: short stacking energy: -698.035 Base-Backbone interact. energy: -5.896 local terms energy: -799.288684 where: bonds (distance) C4'-P energy: -151.300 bonds (distance) P-C4' energy: -172.528 flat angles C4'-P-C4' energy: -179.657 flat angles P-C4'-P energy: -96.946 tors. eta vs tors. theta energy: -198.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2364.347088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.347088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.347088 (E_RNA) where: Base-Base interactions energy: -1552.926 where: short stacking energy: -636.585 Base-Backbone interact. energy: -1.133 local terms energy: -810.287934 where: bonds (distance) C4'-P energy: -168.523 bonds (distance) P-C4' energy: -171.709 flat angles C4'-P-C4' energy: -184.769 flat angles P-C4'-P energy: -113.580 tors. eta vs tors. theta energy: -171.707 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: 6, replica: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2108.301243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.301243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.301243 (E_RNA) where: Base-Base interactions energy: -1377.932 where: short stacking energy: -613.008 Base-Backbone interact. energy: -0.860 local terms energy: -729.509371 where: bonds (distance) C4'-P energy: -154.569 bonds (distance) P-C4' energy: -159.174 flat angles C4'-P-C4' energy: -169.193 flat angles P-C4'-P energy: -99.236 tors. eta vs tors. theta energy: -147.338 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: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1858.173669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.173669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.173669 (E_RNA) where: Base-Base interactions energy: -1163.667 where: short stacking energy: -502.934 Base-Backbone interact. energy: -2.172 local terms energy: -692.334847 where: bonds (distance) C4'-P energy: -155.322 bonds (distance) P-C4' energy: -172.234 flat angles C4'-P-C4' energy: -161.002 flat angles P-C4'-P energy: -93.308 tors. eta vs tors. theta energy: -110.469 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: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1366.170720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.170720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.170720 (E_RNA) where: Base-Base interactions energy: -794.337 where: short stacking energy: -372.224 Base-Backbone interact. energy: -1.328 local terms energy: -570.506160 where: bonds (distance) C4'-P energy: -123.453 bonds (distance) P-C4' energy: -157.108 flat angles C4'-P-C4' energy: -157.570 flat angles P-C4'-P energy: -80.370 tors. eta vs tors. theta energy: -52.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -784.808053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.808053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.808053 (E_RNA) where: Base-Base interactions energy: -300.580 where: short stacking energy: -215.728 Base-Backbone interact. energy: -0.218 local terms energy: -484.009569 where: bonds (distance) C4'-P energy: -147.123 bonds (distance) P-C4' energy: -162.210 flat angles C4'-P-C4' energy: -128.589 flat angles P-C4'-P energy: -66.188 tors. eta vs tors. theta energy: 20.101 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: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -711.636886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.636886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.636886 (E_RNA) where: Base-Base interactions energy: -271.525 where: short stacking energy: -199.796 Base-Backbone interact. energy: 5.861 local terms energy: -445.972239 where: bonds (distance) C4'-P energy: -151.893 bonds (distance) P-C4' energy: -146.617 flat angles C4'-P-C4' energy: -103.207 flat angles P-C4'-P energy: -73.425 tors. eta vs tors. theta energy: 29.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3194.239901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.239901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.239901 (E_RNA) where: Base-Base interactions energy: -2204.676 where: short stacking energy: -870.495 Base-Backbone interact. energy: -1.462 local terms energy: -988.102213 where: bonds (distance) C4'-P energy: -166.193 bonds (distance) P-C4' energy: -196.155 flat angles C4'-P-C4' energy: -213.439 flat angles P-C4'-P energy: -145.724 tors. eta vs tors. theta energy: -266.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2987.131474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.131474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.131474 (E_RNA) where: Base-Base interactions energy: -2050.084 where: short stacking energy: -839.055 Base-Backbone interact. energy: -0.454 local terms energy: -936.593928 where: bonds (distance) C4'-P energy: -182.019 bonds (distance) P-C4' energy: -184.175 flat angles C4'-P-C4' energy: -198.343 flat angles P-C4'-P energy: -118.272 tors. eta vs tors. theta energy: -253.785 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: 10 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2845.274496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.274496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.274496 (E_RNA) where: Base-Base interactions energy: -1933.137 where: short stacking energy: -835.997 Base-Backbone interact. energy: -1.692 local terms energy: -910.445291 where: bonds (distance) C4'-P energy: -157.869 bonds (distance) P-C4' energy: -171.962 flat angles C4'-P-C4' energy: -203.046 flat angles P-C4'-P energy: -140.250 tors. eta vs tors. theta energy: -237.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2540.672599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.672599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.672599 (E_RNA) where: Base-Base interactions energy: -1683.150 where: short stacking energy: -672.758 Base-Backbone interact. energy: -1.998 local terms energy: -855.524994 where: bonds (distance) C4'-P energy: -167.338 bonds (distance) P-C4' energy: -181.459 flat angles C4'-P-C4' energy: -193.977 flat angles P-C4'-P energy: -110.325 tors. eta vs tors. theta energy: -202.426 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: 481 Temperature: 1.100000 Total energy: -2337.169052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.169052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.169052 (E_RNA) where: Base-Base interactions energy: -1548.874 where: short stacking energy: -644.443 Base-Backbone interact. energy: -4.502 local terms energy: -783.793147 where: bonds (distance) C4'-P energy: -158.185 bonds (distance) P-C4' energy: -172.205 flat angles C4'-P-C4' energy: -178.801 flat angles P-C4'-P energy: -106.133 tors. eta vs tors. theta energy: -168.469 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: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2061.491747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.491747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.491747 (E_RNA) where: Base-Base interactions energy: -1361.342 where: short stacking energy: -599.939 Base-Backbone interact. energy: -0.099 local terms energy: -700.050570 where: bonds (distance) C4'-P energy: -137.039 bonds (distance) P-C4' energy: -149.152 flat angles C4'-P-C4' energy: -158.185 flat angles P-C4'-P energy: -104.095 tors. eta vs tors. theta energy: -151.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1920.456607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.456607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.456607 (E_RNA) where: Base-Base interactions energy: -1210.475 where: short stacking energy: -522.297 Base-Backbone interact. energy: 0.823 local terms energy: -710.803715 where: bonds (distance) C4'-P energy: -144.526 bonds (distance) P-C4' energy: -169.934 flat angles C4'-P-C4' energy: -153.422 flat angles P-C4'-P energy: -102.714 tors. eta vs tors. theta energy: -140.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1343.934131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.934131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.934131 (E_RNA) where: Base-Base interactions energy: -767.986 where: short stacking energy: -367.228 Base-Backbone interact. energy: 2.056 local terms energy: -578.003598 where: bonds (distance) C4'-P energy: -156.052 bonds (distance) P-C4' energy: -150.285 flat angles C4'-P-C4' energy: -139.334 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: -46.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -779.708086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.708086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.708086 (E_RNA) where: Base-Base interactions energy: -320.611 where: short stacking energy: -218.383 Base-Backbone interact. energy: 4.206 local terms energy: -463.302996 where: bonds (distance) C4'-P energy: -145.215 bonds (distance) P-C4' energy: -142.544 flat angles C4'-P-C4' energy: -133.718 flat angles P-C4'-P energy: -66.104 tors. eta vs tors. theta energy: 24.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -635.628183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.628183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.628183 (E_RNA) where: Base-Base interactions energy: -198.948 where: short stacking energy: -146.657 Base-Backbone interact. energy: 14.173 local terms energy: -450.852643 where: bonds (distance) C4'-P energy: -149.079 bonds (distance) P-C4' energy: -163.447 flat angles C4'-P-C4' energy: -142.734 flat angles P-C4'-P energy: -47.993 tors. eta vs tors. theta energy: 52.401 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: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3195.060203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3195.060203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3195.060203 (E_RNA) where: Base-Base interactions energy: -2211.411 where: short stacking energy: -902.599 Base-Backbone interact. energy: -6.876 local terms energy: -976.772869 where: bonds (distance) C4'-P energy: -175.248 bonds (distance) P-C4' energy: -181.134 flat angles C4'-P-C4' energy: -202.501 flat angles P-C4'-P energy: -140.189 tors. eta vs tors. theta energy: -277.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -3007.612600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.612600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.612600 (E_RNA) where: Base-Base interactions energy: -2048.297 where: short stacking energy: -859.562 Base-Backbone interact. energy: 4.459 local terms energy: -963.775235 where: bonds (distance) C4'-P energy: -182.262 bonds (distance) P-C4' energy: -177.074 flat angles C4'-P-C4' energy: -202.296 flat angles P-C4'-P energy: -137.900 tors. eta vs tors. theta energy: -264.243 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: 10 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2848.053210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.053210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.053210 (E_RNA) where: Base-Base interactions energy: -1950.881 where: short stacking energy: -832.091 Base-Backbone interact. energy: -5.059 local terms energy: -892.113732 where: bonds (distance) C4'-P energy: -148.946 bonds (distance) P-C4' energy: -166.407 flat angles C4'-P-C4' energy: -195.910 flat angles P-C4'-P energy: -122.908 tors. eta vs tors. theta energy: -257.943 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: 482 Temperature: 1.050000 Total energy: -2544.490510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.490510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.490510 (E_RNA) where: Base-Base interactions energy: -1707.780 where: short stacking energy: -695.235 Base-Backbone interact. energy: -6.716 local terms energy: -829.994975 where: bonds (distance) C4'-P energy: -168.459 bonds (distance) P-C4' energy: -161.625 flat angles C4'-P-C4' energy: -183.181 flat angles P-C4'-P energy: -122.515 tors. eta vs tors. theta energy: -194.216 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: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2409.002597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.002597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.002597 (E_RNA) where: Base-Base interactions energy: -1583.620 where: short stacking energy: -664.979 Base-Backbone interact. energy: -6.801 local terms energy: -818.581120 where: bonds (distance) C4'-P energy: -153.325 bonds (distance) P-C4' energy: -182.706 flat angles C4'-P-C4' energy: -183.041 flat angles P-C4'-P energy: -115.733 tors. eta vs tors. theta energy: -183.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2208.065552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.065552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.065552 (E_RNA) where: Base-Base interactions energy: -1431.253 where: short stacking energy: -645.302 Base-Backbone interact. energy: -5.007 local terms energy: -771.804992 where: bonds (distance) C4'-P energy: -148.996 bonds (distance) P-C4' energy: -165.815 flat angles C4'-P-C4' energy: -156.580 flat angles P-C4'-P energy: -122.043 tors. eta vs tors. theta energy: -178.373 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: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1849.494978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.494978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.494978 (E_RNA) where: Base-Base interactions energy: -1148.216 where: short stacking energy: -526.509 Base-Backbone interact. energy: -3.323 local terms energy: -697.955710 where: bonds (distance) C4'-P energy: -149.537 bonds (distance) P-C4' energy: -155.327 flat angles C4'-P-C4' energy: -173.123 flat angles P-C4'-P energy: -103.816 tors. eta vs tors. theta energy: -116.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1336.927684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.927684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.927684 (E_RNA) where: Base-Base interactions energy: -751.170 where: short stacking energy: -367.288 Base-Backbone interact. energy: -1.835 local terms energy: -583.922814 where: bonds (distance) C4'-P energy: -149.392 bonds (distance) P-C4' energy: -155.339 flat angles C4'-P-C4' energy: -140.594 flat angles P-C4'-P energy: -100.278 tors. eta vs tors. theta energy: -38.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -811.378643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.378643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.378643 (E_RNA) where: Base-Base interactions energy: -331.058 where: short stacking energy: -205.892 Base-Backbone interact. energy: -0.090 local terms energy: -480.230949 where: bonds (distance) C4'-P energy: -141.565 bonds (distance) P-C4' energy: -164.955 flat angles C4'-P-C4' energy: -108.995 flat angles P-C4'-P energy: -92.554 tors. eta vs tors. theta energy: 27.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -643.539573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.539573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.539573 (E_RNA) where: Base-Base interactions energy: -232.297 where: short stacking energy: -163.570 Base-Backbone interact. energy: 2.528 local terms energy: -413.770217 where: bonds (distance) C4'-P energy: -134.823 bonds (distance) P-C4' energy: -129.386 flat angles C4'-P-C4' energy: -138.579 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: 41.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3241.569093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.569093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.569093 (E_RNA) where: Base-Base interactions energy: -2255.846 where: short stacking energy: -899.565 Base-Backbone interact. energy: -1.828 local terms energy: -983.895546 where: bonds (distance) C4'-P energy: -193.743 bonds (distance) P-C4' energy: -174.972 flat angles C4'-P-C4' energy: -202.416 flat angles P-C4'-P energy: -138.332 tors. eta vs tors. theta energy: -274.433 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: 2, replica: 3 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2975.864631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.864631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.864631 (E_RNA) where: Base-Base interactions energy: -2033.702 where: short stacking energy: -847.186 Base-Backbone interact. energy: 4.303 local terms energy: -946.464869 where: bonds (distance) C4'-P energy: -164.715 bonds (distance) P-C4' energy: -184.589 flat angles C4'-P-C4' energy: -200.937 flat angles P-C4'-P energy: -139.220 tors. eta vs tors. theta energy: -257.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2868.877548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.877548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.877548 (E_RNA) where: Base-Base interactions energy: -1972.067 where: short stacking energy: -844.757 Base-Backbone interact. energy: -1.355 local terms energy: -895.456147 where: bonds (distance) C4'-P energy: -164.515 bonds (distance) P-C4' energy: -169.762 flat angles C4'-P-C4' energy: -199.632 flat angles P-C4'-P energy: -113.726 tors. eta vs tors. theta energy: -247.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2593.485527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.485527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.485527 (E_RNA) where: Base-Base interactions energy: -1806.012 where: short stacking energy: -728.361 Base-Backbone interact. energy: -3.672 local terms energy: -783.801329 where: bonds (distance) C4'-P energy: -138.397 bonds (distance) P-C4' energy: -153.184 flat angles C4'-P-C4' energy: -189.441 flat angles P-C4'-P energy: -103.350 tors. eta vs tors. theta energy: -199.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2414.904971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.904971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.904971 (E_RNA) where: Base-Base interactions energy: -1615.300 where: short stacking energy: -675.730 Base-Backbone interact. energy: 9.272 local terms energy: -808.876262 where: bonds (distance) C4'-P energy: -170.435 bonds (distance) P-C4' energy: -162.077 flat angles C4'-P-C4' energy: -188.413 flat angles P-C4'-P energy: -100.374 tors. eta vs tors. theta energy: -187.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2076.918052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.918052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.918052 (E_RNA) where: Base-Base interactions energy: -1301.590 where: short stacking energy: -575.412 Base-Backbone interact. energy: -2.925 local terms energy: -772.402706 where: bonds (distance) C4'-P energy: -151.524 bonds (distance) P-C4' energy: -163.870 flat angles C4'-P-C4' energy: -176.374 flat angles P-C4'-P energy: -114.332 tors. eta vs tors. theta energy: -166.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1814.177054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.177054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.177054 (E_RNA) where: Base-Base interactions energy: -1174.998 where: short stacking energy: -531.410 Base-Backbone interact. energy: 1.300 local terms energy: -640.478914 where: bonds (distance) C4'-P energy: -139.715 bonds (distance) P-C4' energy: -140.889 flat angles C4'-P-C4' energy: -149.475 flat angles P-C4'-P energy: -88.979 tors. eta vs tors. theta energy: -121.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1317.676937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.676937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.676937 (E_RNA) where: Base-Base interactions energy: -747.795 where: short stacking energy: -354.549 Base-Backbone interact. energy: -2.585 local terms energy: -567.296978 where: bonds (distance) C4'-P energy: -159.564 bonds (distance) P-C4' energy: -141.259 flat angles C4'-P-C4' energy: -157.479 flat angles P-C4'-P energy: -76.437 tors. eta vs tors. theta energy: -32.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -848.487333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.487333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.487333 (E_RNA) where: Base-Base interactions energy: -325.222 where: short stacking energy: -223.499 Base-Backbone interact. energy: -1.168 local terms energy: -522.097612 where: bonds (distance) C4'-P energy: -156.380 bonds (distance) P-C4' energy: -153.495 flat angles C4'-P-C4' energy: -128.242 flat angles P-C4'-P energy: -89.144 tors. eta vs tors. theta energy: 5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -666.752739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.752739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.752739 (E_RNA) where: Base-Base interactions energy: -207.908 where: short stacking energy: -168.040 Base-Backbone interact. energy: -4.414 local terms energy: -454.430979 where: bonds (distance) C4'-P energy: -158.200 bonds (distance) P-C4' energy: -145.736 flat angles C4'-P-C4' energy: -107.430 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: 35.778 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: 7 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3183.437807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.437807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.437807 (E_RNA) where: Base-Base interactions energy: -2207.756 where: short stacking energy: -894.393 Base-Backbone interact. energy: -8.865 local terms energy: -966.816771 where: bonds (distance) C4'-P energy: -172.169 bonds (distance) P-C4' energy: -169.325 flat angles C4'-P-C4' energy: -202.526 flat angles P-C4'-P energy: -148.298 tors. eta vs tors. theta energy: -274.499 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: 484 Temperature: 0.950000 Total energy: -2979.479403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.479403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.479403 (E_RNA) where: Base-Base interactions energy: -2053.029 where: short stacking energy: -850.141 Base-Backbone interact. energy: -2.539 local terms energy: -923.910818 where: bonds (distance) C4'-P energy: -185.471 bonds (distance) P-C4' energy: -159.792 flat angles C4'-P-C4' energy: -200.270 flat angles P-C4'-P energy: -135.300 tors. eta vs tors. theta energy: -243.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2827.115315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.115315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.115315 (E_RNA) where: Base-Base interactions energy: -1942.115 where: short stacking energy: -831.996 Base-Backbone interact. energy: -4.153 local terms energy: -880.847231 where: bonds (distance) C4'-P energy: -157.892 bonds (distance) P-C4' energy: -156.875 flat angles C4'-P-C4' energy: -188.498 flat angles P-C4'-P energy: -139.862 tors. eta vs tors. theta energy: -237.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2543.254114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.254114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.254114 (E_RNA) where: Base-Base interactions energy: -1697.027 where: short stacking energy: -693.935 Base-Backbone interact. energy: -2.493 local terms energy: -843.734303 where: bonds (distance) C4'-P energy: -152.067 bonds (distance) P-C4' energy: -167.983 flat angles C4'-P-C4' energy: -173.257 flat angles P-C4'-P energy: -122.778 tors. eta vs tors. theta energy: -227.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2411.823846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.823846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.823846 (E_RNA) where: Base-Base interactions energy: -1613.088 where: short stacking energy: -661.031 Base-Backbone interact. energy: -0.851 local terms energy: -797.884843 where: bonds (distance) C4'-P energy: -155.746 bonds (distance) P-C4' energy: -171.663 flat angles C4'-P-C4' energy: -181.524 flat angles P-C4'-P energy: -98.665 tors. eta vs tors. theta energy: -190.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2079.115447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.115447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.115447 (E_RNA) where: Base-Base interactions energy: -1375.364 where: short stacking energy: -608.758 Base-Backbone interact. energy: -0.246 local terms energy: -703.505754 where: bonds (distance) C4'-P energy: -160.909 bonds (distance) P-C4' energy: -154.060 flat angles C4'-P-C4' energy: -160.664 flat angles P-C4'-P energy: -85.519 tors. eta vs tors. theta energy: -142.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1744.758971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.758971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.758971 (E_RNA) where: Base-Base interactions energy: -1073.608 where: short stacking energy: -501.974 Base-Backbone interact. energy: 4.182 local terms energy: -675.332924 where: bonds (distance) C4'-P energy: -165.828 bonds (distance) P-C4' energy: -157.522 flat angles C4'-P-C4' energy: -154.537 flat angles P-C4'-P energy: -89.743 tors. eta vs tors. theta energy: -107.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1337.750546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.750546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.750546 (E_RNA) where: Base-Base interactions energy: -772.732 where: short stacking energy: -373.206 Base-Backbone interact. energy: 11.301 local terms energy: -576.318851 where: bonds (distance) C4'-P energy: -164.751 bonds (distance) P-C4' energy: -145.384 flat angles C4'-P-C4' energy: -150.938 flat angles P-C4'-P energy: -85.039 tors. eta vs tors. theta energy: -30.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -799.685748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.685748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.685748 (E_RNA) where: Base-Base interactions energy: -325.263 where: short stacking energy: -202.092 Base-Backbone interact. energy: 6.248 local terms energy: -480.670884 where: bonds (distance) C4'-P energy: -152.438 bonds (distance) P-C4' energy: -168.813 flat angles C4'-P-C4' energy: -119.393 flat angles P-C4'-P energy: -73.151 tors. eta vs tors. theta energy: 33.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -654.677393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.677393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.677393 (E_RNA) where: Base-Base interactions energy: -211.620 where: short stacking energy: -164.581 Base-Backbone interact. energy: -2.078 local terms energy: -440.979252 where: bonds (distance) C4'-P energy: -130.724 bonds (distance) P-C4' energy: -168.741 flat angles C4'-P-C4' energy: -123.701 flat angles P-C4'-P energy: -70.654 tors. eta vs tors. theta energy: 52.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3190.677918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.677918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.677918 (E_RNA) where: Base-Base interactions energy: -2176.242 where: short stacking energy: -874.481 Base-Backbone interact. energy: -9.717 local terms energy: -1004.719410 where: bonds (distance) C4'-P energy: -192.631 bonds (distance) P-C4' energy: -189.902 flat angles C4'-P-C4' energy: -213.208 flat angles P-C4'-P energy: -129.645 tors. eta vs tors. theta energy: -279.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2983.843032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.843032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.843032 (E_RNA) where: Base-Base interactions energy: -2048.526 where: short stacking energy: -844.579 Base-Backbone interact. energy: -1.622 local terms energy: -933.694647 where: bonds (distance) C4'-P energy: -176.425 bonds (distance) P-C4' energy: -160.896 flat angles C4'-P-C4' energy: -209.833 flat angles P-C4'-P energy: -135.703 tors. eta vs tors. theta energy: -250.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2842.302466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.302466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.302466 (E_RNA) where: Base-Base interactions energy: -1917.471 where: short stacking energy: -814.982 Base-Backbone interact. energy: -1.823 local terms energy: -923.008795 where: bonds (distance) C4'-P energy: -186.366 bonds (distance) P-C4' energy: -181.581 flat angles C4'-P-C4' energy: -184.627 flat angles P-C4'-P energy: -131.181 tors. eta vs tors. theta energy: -239.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2621.801740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.801740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.801740 (E_RNA) where: Base-Base interactions energy: -1783.597 where: short stacking energy: -717.648 Base-Backbone interact. energy: 0.663 local terms energy: -838.868080 where: bonds (distance) C4'-P energy: -168.115 bonds (distance) P-C4' energy: -174.504 flat angles C4'-P-C4' energy: -179.042 flat angles P-C4'-P energy: -108.359 tors. eta vs tors. theta energy: -208.848 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: 2 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2446.913942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.913942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.913942 (E_RNA) where: Base-Base interactions energy: -1654.199 where: short stacking energy: -678.012 Base-Backbone interact. energy: 1.880 local terms energy: -794.595453 where: bonds (distance) C4'-P energy: -164.952 bonds (distance) P-C4' energy: -163.587 flat angles C4'-P-C4' energy: -175.744 flat angles P-C4'-P energy: -113.589 tors. eta vs tors. theta energy: -176.724 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: 4 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2164.331661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.331661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.331661 (E_RNA) where: Base-Base interactions energy: -1370.657 where: short stacking energy: -606.047 Base-Backbone interact. energy: 1.887 local terms energy: -795.561586 where: bonds (distance) C4'-P energy: -178.468 bonds (distance) P-C4' energy: -175.134 flat angles C4'-P-C4' energy: -174.764 flat angles P-C4'-P energy: -108.689 tors. eta vs tors. theta energy: -158.506 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: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1701.340325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.340325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.340325 (E_RNA) where: Base-Base interactions energy: -1067.634 where: short stacking energy: -488.461 Base-Backbone interact. energy: 1.992 local terms energy: -635.698214 where: bonds (distance) C4'-P energy: -149.831 bonds (distance) P-C4' energy: -143.320 flat angles C4'-P-C4' energy: -170.101 flat angles P-C4'-P energy: -105.074 tors. eta vs tors. theta energy: -67.372 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: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1273.535825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.535825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.535825 (E_RNA) where: Base-Base interactions energy: -741.459 where: short stacking energy: -342.685 Base-Backbone interact. energy: 3.893 local terms energy: -535.969907 where: bonds (distance) C4'-P energy: -135.057 bonds (distance) P-C4' energy: -162.913 flat angles C4'-P-C4' energy: -149.081 flat angles P-C4'-P energy: -77.857 tors. eta vs tors. theta energy: -11.063 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: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -819.394482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.394482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.394482 (E_RNA) where: Base-Base interactions energy: -333.630 where: short stacking energy: -235.864 Base-Backbone interact. energy: 0.995 local terms energy: -486.759023 where: bonds (distance) C4'-P energy: -148.028 bonds (distance) P-C4' energy: -165.019 flat angles C4'-P-C4' energy: -115.177 flat angles P-C4'-P energy: -73.422 tors. eta vs tors. theta energy: 14.887 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: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -666.450962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.450962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.450962 (E_RNA) where: Base-Base interactions energy: -195.994 where: short stacking energy: -160.014 Base-Backbone interact. energy: 1.170 local terms energy: -471.627271 where: bonds (distance) C4'-P energy: -147.669 bonds (distance) P-C4' energy: -166.749 flat angles C4'-P-C4' energy: -135.152 flat angles P-C4'-P energy: -74.836 tors. eta vs tors. theta energy: 52.779 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: 7 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3174.236451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.236451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.236451 (E_RNA) where: Base-Base interactions energy: -2200.185 where: short stacking energy: -865.479 Base-Backbone interact. energy: -6.216 local terms energy: -967.835661 where: bonds (distance) C4'-P energy: -189.786 bonds (distance) P-C4' energy: -165.743 flat angles C4'-P-C4' energy: -209.742 flat angles P-C4'-P energy: -137.867 tors. eta vs tors. theta energy: -264.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -3016.754909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.754909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.754909 (E_RNA) where: Base-Base interactions energy: -2081.714 where: short stacking energy: -835.340 Base-Backbone interact. energy: 2.282 local terms energy: -937.322983 where: bonds (distance) C4'-P energy: -169.630 bonds (distance) P-C4' energy: -185.824 flat angles C4'-P-C4' energy: -195.812 flat angles P-C4'-P energy: -133.568 tors. eta vs tors. theta energy: -252.488 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: 3, replica: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2831.572945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.572945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.572945 (E_RNA) where: Base-Base interactions energy: -1931.566 where: short stacking energy: -800.413 Base-Backbone interact. energy: -2.341 local terms energy: -897.665435 where: bonds (distance) C4'-P energy: -165.459 bonds (distance) P-C4' energy: -176.797 flat angles C4'-P-C4' energy: -183.492 flat angles P-C4'-P energy: -128.376 tors. eta vs tors. theta energy: -243.541 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: 486 Temperature: 1.050000 Total energy: -2633.870070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.870070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.870070 (E_RNA) where: Base-Base interactions energy: -1784.448 where: short stacking energy: -745.412 Base-Backbone interact. energy: -0.109 local terms energy: -849.312793 where: bonds (distance) C4'-P energy: -182.982 bonds (distance) P-C4' energy: -140.203 flat angles C4'-P-C4' energy: -189.206 flat angles P-C4'-P energy: -119.938 tors. eta vs tors. theta energy: -216.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2439.427395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.427395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.427395 (E_RNA) where: Base-Base interactions energy: -1641.114 where: short stacking energy: -645.695 Base-Backbone interact. energy: 2.531 local terms energy: -800.843953 where: bonds (distance) C4'-P energy: -160.688 bonds (distance) P-C4' energy: -154.975 flat angles C4'-P-C4' energy: -179.774 flat angles P-C4'-P energy: -119.390 tors. eta vs tors. theta energy: -186.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2160.957253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.957253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.957253 (E_RNA) where: Base-Base interactions energy: -1413.790 where: short stacking energy: -630.999 Base-Backbone interact. energy: -0.829 local terms energy: -746.337968 where: bonds (distance) C4'-P energy: -145.502 bonds (distance) P-C4' energy: -168.920 flat angles C4'-P-C4' energy: -173.189 flat angles P-C4'-P energy: -108.208 tors. eta vs tors. theta energy: -150.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1691.160359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.160359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.160359 (E_RNA) where: Base-Base interactions energy: -1015.990 where: short stacking energy: -481.756 Base-Backbone interact. energy: -0.115 local terms energy: -675.055572 where: bonds (distance) C4'-P energy: -148.461 bonds (distance) P-C4' energy: -162.684 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -113.468 tors. eta vs tors. theta energy: -97.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1249.086842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.086842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.086842 (E_RNA) where: Base-Base interactions energy: -684.684 where: short stacking energy: -337.884 Base-Backbone interact. energy: 2.183 local terms energy: -566.586478 where: bonds (distance) C4'-P energy: -155.589 bonds (distance) P-C4' energy: -149.232 flat angles C4'-P-C4' energy: -138.828 flat angles P-C4'-P energy: -84.220 tors. eta vs tors. theta energy: -38.717 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: 9, replica: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -871.020328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.020328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.020328 (E_RNA) where: Base-Base interactions energy: -360.413 where: short stacking energy: -224.368 Base-Backbone interact. energy: 1.814 local terms energy: -512.421112 where: bonds (distance) C4'-P energy: -151.593 bonds (distance) P-C4' energy: -153.017 flat angles C4'-P-C4' energy: -142.884 flat angles P-C4'-P energy: -77.294 tors. eta vs tors. theta energy: 12.366 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: 8 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -631.837810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.837810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.837810 (E_RNA) where: Base-Base interactions energy: -187.074 where: short stacking energy: -159.743 Base-Backbone interact. energy: -0.184 local terms energy: -444.579397 where: bonds (distance) C4'-P energy: -153.234 bonds (distance) P-C4' energy: -150.035 flat angles C4'-P-C4' energy: -132.325 flat angles P-C4'-P energy: -48.104 tors. eta vs tors. theta energy: 39.118 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: 1, replica: 7 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3202.744228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.744228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.744228 (E_RNA) where: Base-Base interactions energy: -2223.135 where: short stacking energy: -898.938 Base-Backbone interact. energy: -6.430 local terms energy: -973.179741 where: bonds (distance) C4'-P energy: -164.421 bonds (distance) P-C4' energy: -196.609 flat angles C4'-P-C4' energy: -191.799 flat angles P-C4'-P energy: -148.852 tors. eta vs tors. theta energy: -271.499 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: 487 Temperature: 0.950000 Total energy: -3010.621179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.621179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.621179 (E_RNA) where: Base-Base interactions energy: -2076.457 where: short stacking energy: -855.306 Base-Backbone interact. energy: -2.007 local terms energy: -932.157452 where: bonds (distance) C4'-P energy: -174.042 bonds (distance) P-C4' energy: -167.097 flat angles C4'-P-C4' energy: -192.340 flat angles P-C4'-P energy: -140.812 tors. eta vs tors. theta energy: -257.866 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: 3, replica: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2887.051110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.051110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.051110 (E_RNA) where: Base-Base interactions energy: -1941.526 where: short stacking energy: -856.532 Base-Backbone interact. energy: -4.959 local terms energy: -940.566244 where: bonds (distance) C4'-P energy: -165.779 bonds (distance) P-C4' energy: -185.791 flat angles C4'-P-C4' energy: -212.185 flat angles P-C4'-P energy: -133.304 tors. eta vs tors. theta energy: -243.507 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: 487 Temperature: 1.050000 Total energy: -2622.435543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.435543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.435543 (E_RNA) where: Base-Base interactions energy: -1739.411 where: short stacking energy: -718.877 Base-Backbone interact. energy: -6.558 local terms energy: -876.466461 where: bonds (distance) C4'-P energy: -187.906 bonds (distance) P-C4' energy: -177.858 flat angles C4'-P-C4' energy: -172.086 flat angles P-C4'-P energy: -117.313 tors. eta vs tors. theta energy: -221.305 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: 2 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2434.633807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.633807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.633807 (E_RNA) where: Base-Base interactions energy: -1603.976 where: short stacking energy: -692.417 Base-Backbone interact. energy: -0.786 local terms energy: -829.871965 where: bonds (distance) C4'-P energy: -149.843 bonds (distance) P-C4' energy: -159.878 flat angles C4'-P-C4' energy: -195.489 flat angles P-C4'-P energy: -135.476 tors. eta vs tors. theta energy: -189.186 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: 6, replica: 4 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2166.647699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.647699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.647699 (E_RNA) where: Base-Base interactions energy: -1423.119 where: short stacking energy: -606.310 Base-Backbone interact. energy: 4.829 local terms energy: -748.357483 where: bonds (distance) C4'-P energy: -138.370 bonds (distance) P-C4' energy: -165.395 flat angles C4'-P-C4' energy: -185.662 flat angles P-C4'-P energy: -96.759 tors. eta vs tors. theta energy: -162.172 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: 487 Temperature: 1.200000 Total energy: -1682.169737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.169737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.169737 (E_RNA) where: Base-Base interactions energy: -972.294 where: short stacking energy: -460.248 Base-Backbone interact. energy: 2.016 local terms energy: -711.890886 where: bonds (distance) C4'-P energy: -138.982 bonds (distance) P-C4' energy: -161.211 flat angles C4'-P-C4' energy: -154.327 flat angles P-C4'-P energy: -125.889 tors. eta vs tors. theta energy: -131.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1277.741570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.741570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.741570 (E_RNA) where: Base-Base interactions energy: -673.801 where: short stacking energy: -317.454 Base-Backbone interact. energy: -0.877 local terms energy: -603.063595 where: bonds (distance) C4'-P energy: -143.550 bonds (distance) P-C4' energy: -176.706 flat angles C4'-P-C4' energy: -148.878 flat angles P-C4'-P energy: -100.412 tors. eta vs tors. theta energy: -33.518 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: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -992.901507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.901507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.901507 (E_RNA) where: Base-Base interactions energy: -502.139 where: short stacking energy: -278.969 Base-Backbone interact. energy: 2.346 local terms energy: -493.108778 where: bonds (distance) C4'-P energy: -156.052 bonds (distance) P-C4' energy: -144.849 flat angles C4'-P-C4' energy: -130.794 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: 1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -663.433678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.433678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.433678 (E_RNA) where: Base-Base interactions energy: -205.779 where: short stacking energy: -170.655 Base-Backbone interact. energy: 8.380 local terms energy: -466.035122 where: bonds (distance) C4'-P energy: -157.549 bonds (distance) P-C4' energy: -143.120 flat angles C4'-P-C4' energy: -134.416 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: 34.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3207.571225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.571225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.571225 (E_RNA) where: Base-Base interactions energy: -2215.310 where: short stacking energy: -908.281 Base-Backbone interact. energy: -7.463 local terms energy: -984.797526 where: bonds (distance) C4'-P energy: -175.708 bonds (distance) P-C4' energy: -195.469 flat angles C4'-P-C4' energy: -203.964 flat angles P-C4'-P energy: -132.069 tors. eta vs tors. theta energy: -277.587 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: 3 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -3092.176144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.176144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.176144 (E_RNA) where: Base-Base interactions energy: -2119.397 where: short stacking energy: -875.898 Base-Backbone interact. energy: -4.235 local terms energy: -968.543894 where: bonds (distance) C4'-P energy: -166.539 bonds (distance) P-C4' energy: -181.068 flat angles C4'-P-C4' energy: -219.688 flat angles P-C4'-P energy: -130.912 tors. eta vs tors. theta energy: -270.337 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: 3, replica: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2884.884646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.884646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.884646 (E_RNA) where: Base-Base interactions energy: -1944.513 where: short stacking energy: -846.484 Base-Backbone interact. energy: 3.792 local terms energy: -944.163352 where: bonds (distance) C4'-P energy: -176.987 bonds (distance) P-C4' energy: -170.423 flat angles C4'-P-C4' energy: -195.530 flat angles P-C4'-P energy: -141.804 tors. eta vs tors. theta energy: -259.419 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: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2606.166399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.166399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.166399 (E_RNA) where: Base-Base interactions energy: -1772.604 where: short stacking energy: -713.718 Base-Backbone interact. energy: -3.187 local terms energy: -830.375843 where: bonds (distance) C4'-P energy: -160.433 bonds (distance) P-C4' energy: -151.858 flat angles C4'-P-C4' energy: -190.607 flat angles P-C4'-P energy: -119.335 tors. eta vs tors. theta energy: -208.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2378.701937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.701937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.701937 (E_RNA) where: Base-Base interactions energy: -1566.290 where: short stacking energy: -650.235 Base-Backbone interact. energy: 7.119 local terms energy: -819.531083 where: bonds (distance) C4'-P energy: -159.668 bonds (distance) P-C4' energy: -169.931 flat angles C4'-P-C4' energy: -180.209 flat angles P-C4'-P energy: -124.038 tors. eta vs tors. theta energy: -185.685 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: 6, replica: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2173.418737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.418737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.418737 (E_RNA) where: Base-Base interactions energy: -1386.994 where: short stacking energy: -601.328 Base-Backbone interact. energy: -1.153 local terms energy: -785.271860 where: bonds (distance) C4'-P energy: -150.501 bonds (distance) P-C4' energy: -163.373 flat angles C4'-P-C4' energy: -187.332 flat angles P-C4'-P energy: -125.318 tors. eta vs tors. theta energy: -158.747 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: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1787.535003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.535003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.535003 (E_RNA) where: Base-Base interactions energy: -1094.411 where: short stacking energy: -460.032 Base-Backbone interact. energy: -1.889 local terms energy: -691.234811 where: bonds (distance) C4'-P energy: -151.779 bonds (distance) P-C4' energy: -188.769 flat angles C4'-P-C4' energy: -147.394 flat angles P-C4'-P energy: -106.158 tors. eta vs tors. theta energy: -97.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1266.805579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.805579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.805579 (E_RNA) where: Base-Base interactions energy: -746.444 where: short stacking energy: -379.158 Base-Backbone interact. energy: 1.883 local terms energy: -522.245541 where: bonds (distance) C4'-P energy: -121.228 bonds (distance) P-C4' energy: -143.455 flat angles C4'-P-C4' energy: -128.863 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: -40.211 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: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -975.234993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.234993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.234993 (E_RNA) where: Base-Base interactions energy: -492.281 where: short stacking energy: -255.757 Base-Backbone interact. energy: -3.569 local terms energy: -479.385398 where: bonds (distance) C4'-P energy: -151.052 bonds (distance) P-C4' energy: -159.762 flat angles C4'-P-C4' energy: -120.341 flat angles P-C4'-P energy: -68.100 tors. eta vs tors. theta energy: 19.870 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: 8 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -648.130989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.130989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.130989 (E_RNA) where: Base-Base interactions energy: -241.561 where: short stacking energy: -198.870 Base-Backbone interact. energy: 5.900 local terms energy: -412.470223 where: bonds (distance) C4'-P energy: -127.891 bonds (distance) P-C4' energy: -145.119 flat angles C4'-P-C4' energy: -126.501 flat angles P-C4'-P energy: -37.653 tors. eta vs tors. theta energy: 24.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3230.403021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.403021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.403021 (E_RNA) where: Base-Base interactions energy: -2264.950 where: short stacking energy: -923.263 Base-Backbone interact. energy: -6.652 local terms energy: -958.800851 where: bonds (distance) C4'-P energy: -167.116 bonds (distance) P-C4' energy: -166.552 flat angles C4'-P-C4' energy: -213.198 flat angles P-C4'-P energy: -136.506 tors. eta vs tors. theta energy: -275.429 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: 3 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2981.200253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.200253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.200253 (E_RNA) where: Base-Base interactions energy: -2026.867 where: short stacking energy: -876.479 Base-Backbone interact. energy: -2.402 local terms energy: -951.931275 where: bonds (distance) C4'-P energy: -179.206 bonds (distance) P-C4' energy: -195.044 flat angles C4'-P-C4' energy: -196.989 flat angles P-C4'-P energy: -114.664 tors. eta vs tors. theta energy: -266.028 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: 3, replica: 10 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2893.020987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.020987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.020987 (E_RNA) where: Base-Base interactions energy: -1996.035 where: short stacking energy: -858.678 Base-Backbone interact. energy: 2.079 local terms energy: -899.064883 where: bonds (distance) C4'-P energy: -166.130 bonds (distance) P-C4' energy: -172.142 flat angles C4'-P-C4' energy: -192.611 flat angles P-C4'-P energy: -124.311 tors. eta vs tors. theta energy: -243.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2575.504501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.504501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.504501 (E_RNA) where: Base-Base interactions energy: -1723.490 where: short stacking energy: -678.644 Base-Backbone interact. energy: -4.724 local terms energy: -847.290865 where: bonds (distance) C4'-P energy: -166.157 bonds (distance) P-C4' energy: -179.472 flat angles C4'-P-C4' energy: -181.528 flat angles P-C4'-P energy: -124.987 tors. eta vs tors. theta energy: -195.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2341.480097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.480097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.480097 (E_RNA) where: Base-Base interactions energy: -1545.063 where: short stacking energy: -618.271 Base-Backbone interact. energy: -1.534 local terms energy: -794.883059 where: bonds (distance) C4'-P energy: -153.594 bonds (distance) P-C4' energy: -167.772 flat angles C4'-P-C4' energy: -193.094 flat angles P-C4'-P energy: -119.374 tors. eta vs tors. theta energy: -161.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2180.816195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.816195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.816195 (E_RNA) where: Base-Base interactions energy: -1419.983 where: short stacking energy: -616.312 Base-Backbone interact. energy: 3.107 local terms energy: -763.939380 where: bonds (distance) C4'-P energy: -160.962 bonds (distance) P-C4' energy: -150.680 flat angles C4'-P-C4' energy: -169.881 flat angles P-C4'-P energy: -122.608 tors. eta vs tors. theta energy: -159.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1687.996917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.996917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.996917 (E_RNA) where: Base-Base interactions energy: -1004.060 where: short stacking energy: -452.348 Base-Backbone interact. energy: 1.052 local terms energy: -684.989484 where: bonds (distance) C4'-P energy: -143.280 bonds (distance) P-C4' energy: -172.703 flat angles C4'-P-C4' energy: -172.274 flat angles P-C4'-P energy: -105.915 tors. eta vs tors. theta energy: -90.819 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: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1328.597419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.597419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.597419 (E_RNA) where: Base-Base interactions energy: -728.357 where: short stacking energy: -355.459 Base-Backbone interact. energy: -3.553 local terms energy: -596.687744 where: bonds (distance) C4'-P energy: -152.231 bonds (distance) P-C4' energy: -148.724 flat angles C4'-P-C4' energy: -159.886 flat angles P-C4'-P energy: -79.816 tors. eta vs tors. theta energy: -56.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -904.611235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.611235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.611235 (E_RNA) where: Base-Base interactions energy: -411.217 where: short stacking energy: -227.890 Base-Backbone interact. energy: -2.584 local terms energy: -490.810518 where: bonds (distance) C4'-P energy: -141.769 bonds (distance) P-C4' energy: -164.944 flat angles C4'-P-C4' energy: -145.116 flat angles P-C4'-P energy: -59.131 tors. eta vs tors. theta energy: 20.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -664.770168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.770168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.770168 (E_RNA) where: Base-Base interactions energy: -243.916 where: short stacking energy: -209.736 Base-Backbone interact. energy: 1.058 local terms energy: -421.911924 where: bonds (distance) C4'-P energy: -142.500 bonds (distance) P-C4' energy: -142.771 flat angles C4'-P-C4' energy: -127.766 flat angles P-C4'-P energy: -33.630 tors. eta vs tors. theta energy: 24.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3224.851135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.851135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.851135 (E_RNA) where: Base-Base interactions energy: -2231.156 where: short stacking energy: -914.092 Base-Backbone interact. energy: -5.097 local terms energy: -988.598419 where: bonds (distance) C4'-P energy: -175.827 bonds (distance) P-C4' energy: -180.168 flat angles C4'-P-C4' energy: -210.530 flat angles P-C4'-P energy: -140.258 tors. eta vs tors. theta energy: -281.816 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: 3 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2975.482075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.482075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.482075 (E_RNA) where: Base-Base interactions energy: -2051.592 where: short stacking energy: -851.360 Base-Backbone interact. energy: -3.155 local terms energy: -920.734658 where: bonds (distance) C4'-P energy: -166.601 bonds (distance) P-C4' energy: -166.894 flat angles C4'-P-C4' energy: -206.612 flat angles P-C4'-P energy: -132.952 tors. eta vs tors. theta energy: -247.675 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: 10 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2838.817620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.817620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.817620 (E_RNA) where: Base-Base interactions energy: -1901.763 where: short stacking energy: -840.372 Base-Backbone interact. energy: -0.542 local terms energy: -936.512484 where: bonds (distance) C4'-P energy: -163.485 bonds (distance) P-C4' energy: -193.411 flat angles C4'-P-C4' energy: -201.859 flat angles P-C4'-P energy: -131.722 tors. eta vs tors. theta energy: -246.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2626.597012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.597012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.597012 (E_RNA) where: Base-Base interactions energy: -1767.516 where: short stacking energy: -700.137 Base-Backbone interact. energy: -11.631 local terms energy: -847.450598 where: bonds (distance) C4'-P energy: -174.430 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -204.157 flat angles P-C4'-P energy: -126.182 tors. eta vs tors. theta energy: -193.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2396.577710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.577710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.577710 (E_RNA) where: Base-Base interactions energy: -1609.689 where: short stacking energy: -701.654 Base-Backbone interact. energy: -2.161 local terms energy: -784.728150 where: bonds (distance) C4'-P energy: -143.661 bonds (distance) P-C4' energy: -183.050 flat angles C4'-P-C4' energy: -181.300 flat angles P-C4'-P energy: -108.214 tors. eta vs tors. theta energy: -168.503 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: 6, replica: 4 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2213.957689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.957689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.957689 (E_RNA) where: Base-Base interactions energy: -1411.109 where: short stacking energy: -609.575 Base-Backbone interact. energy: -2.080 local terms energy: -800.769291 where: bonds (distance) C4'-P energy: -171.760 bonds (distance) P-C4' energy: -165.430 flat angles C4'-P-C4' energy: -191.255 flat angles P-C4'-P energy: -119.618 tors. eta vs tors. theta energy: -152.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1703.001002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.001002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.001002 (E_RNA) where: Base-Base interactions energy: -1030.774 where: short stacking energy: -452.595 Base-Backbone interact. energy: -5.356 local terms energy: -666.870323 where: bonds (distance) C4'-P energy: -152.610 bonds (distance) P-C4' energy: -166.366 flat angles C4'-P-C4' energy: -159.687 flat angles P-C4'-P energy: -100.044 tors. eta vs tors. theta energy: -88.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1317.975590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.975590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.975590 (E_RNA) where: Base-Base interactions energy: -736.098 where: short stacking energy: -369.102 Base-Backbone interact. energy: -3.763 local terms energy: -578.115286 where: bonds (distance) C4'-P energy: -130.046 bonds (distance) P-C4' energy: -158.921 flat angles C4'-P-C4' energy: -144.296 flat angles P-C4'-P energy: -102.452 tors. eta vs tors. theta energy: -42.402 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: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -890.032965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.032965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.032965 (E_RNA) where: Base-Base interactions energy: -413.013 where: short stacking energy: -260.354 Base-Backbone interact. energy: 5.268 local terms energy: -482.288175 where: bonds (distance) C4'-P energy: -151.618 bonds (distance) P-C4' energy: -155.612 flat angles C4'-P-C4' energy: -116.094 flat angles P-C4'-P energy: -73.739 tors. eta vs tors. theta energy: 14.775 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: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -661.795021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.795021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.795021 (E_RNA) where: Base-Base interactions energy: -251.978 where: short stacking energy: -165.257 Base-Backbone interact. energy: 12.491 local terms energy: -422.308406 where: bonds (distance) C4'-P energy: -137.249 bonds (distance) P-C4' energy: -148.559 flat angles C4'-P-C4' energy: -112.223 flat angles P-C4'-P energy: -77.282 tors. eta vs tors. theta energy: 53.004 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) out arg RESULTS//1/MTEC-9da76732_01 DONE DONE